ORCID Profile
0000-0002-1235-5090
Current Organisation
Griffith University
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Research Topics
In Research Link Australia (RLA), "Research Topics" refer to ANZSRC FOR and SEO codes. These topics are either sourced from ANZSRC FOR and SEO codes listed in researchers' related grants or generated by a large language model (LLM) based on their publications.
Top 5 Research Topics
ANZSRC Field of Research (FoR)
Nanotechnology | Materials Engineering | Functional Materials | Composite Materials | Composite and Hybrid Materials | Environmental Technologies | Catalytic Process Engineering | Environmental Engineering | Chemical Engineering | Nanomaterials | Materials Engineering Not Elsewhere Classified | Surfaces and Structural Properties of Condensed Matter | Condensed Matter Characterisation Technique Development | Chemical Spectroscopy | Condensed Matter Physics | Carbon Capture Engineering (excl. Sequestration) | Powder and Particle Technology | Process Control and Simulation | Alloy Materials | Nanotechnology | Metals and Alloy Materials | Ceramics | Solid State Chemistry | Physical Chemistry (Incl. Structural) | Physical Metallurgy | Computational Heat Transfer | Process Control And Simulation | Soft Condensed Matter | Electronic and Magnetic Properties of Condensed Matter; Superconductivity |
ANZSRC Socio-Economic Objective (SEO)
Renewable energy | Management of Greenhouse Gas Emissions from Energy Activities (excl. Electricity Generation) | Fuel Cells (excl. Solid Oxide) | Energy storage and distribution | Energy storage | Metals (composites, coatings, bonding, etc.) | Biofuel (Biomass) Energy | Expanding Knowledge in the Chemical Sciences | Aluminium | Transport | Solar-photoelectric | Materials performance and processes | Other non-ferrous metals (e.g. copper,zinc) | Energy Storage (excl. Hydrogen) | Structural glass and glass products | Other | Cement and Concrete Materials | Hydrogen Storage | Expanding Knowledge in Technology | Hydrogen Production from Renewable Energy | Oil and Gas Exploration | Solar-Thermal Electric Energy | Solar-Thermal Energy | Expanding Knowledge in the Physical Sciences | Expanding Knowledge in Engineering | Expanding Knowledge in the Biological Sciences | Other
Related Links
Publications
Catalytically enhanced dehydrogenation of MgH2 by activated carbon supported Pd–VOx (x=2.38) nanocatalyst
Publisher: Elsevier BV
Date: 09-2012
High-performance cobalt–tungsten–boron catalyst supported on Ni foam for hydrogen generation from alkaline sodium borohydride solution
Publisher: Elsevier BV
Date: 08-2008
Influence of Re on the Properties of a NiCoCrAlY Coating Alloy
Publisher: Elsevier BV
Date: 2011
Synergetic effects of hydrogenated Mg3 La and TiCl3 on the dehydrogenation of LiBH4
Publisher: Royal Society of Chemistry (RSC)
Date: 2011
DOI: 10.1039/C1JM10354G
Selective adsorption of carbon dioxide by carbonized porous aromatic framework (PAF)
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2EE21935B
Adsorption and Dissociation of Ammonia Borane Outside and Inside Single-Walled Carbon Nanotubes: A Density Functional Theory Study
Publisher: American Chemical Society (ACS)
Date: 06-06-2011
DOI: 10.1021/JP2036026
Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations
Publisher: AIP Publishing
Date: 10-03-2008
DOI: 10.1063/1.2894507
Abstract: Ab initio calculations were conducted to investigate the electronic structures and magnetic properties of fluorinated boron nitride nanotube (F-BNNT). It was found that the chemisorption of F atoms on the B atoms of BNNT can induce spontaneous magnetization, whereas no magnetism can be produced when the B and N atoms are equally fluorinated. This provides a different approach to tune the magnetic properties of BNNTs as well as a synthetic route toward metal-free magnetic materials.
Preface to the special issue on “The 8th International Conference on Hydrogen Production (ICH 2 P-2017), 28–31 July 2017, Brisbane, Australia”
Publisher: Elsevier BV
Date: 07-2018
Sandwich-Like Reduced Graphene Oxide/Carbon Black/Amorphous Cobalt Borate Nanocomposites as Bifunctional Cathode Electrocatalyst in Rechargeable Zinc-Air Batteries
Publisher: Wiley
Date: 09-08-2018
Heteroatom-Doped Graphdiyne Enables Ferromagnetism of Carbon
Publisher: American Chemical Society (ACS)
Date: 12-06-2020
Defective Fe Metal–Organic Frameworks Enhance Metabolic Profiling for High‐Accuracy Diagnosis of Human Cancers
Publisher: Wiley
Date: 23-05-2022
Abstract: Cancers heavily threaten human life therefore, a high‐accuracy diagnosis is vital to protect human beings from the suffering of cancers. While biopsies and imaging methods are widely used as current technologies for cancer diagnosis, a new detection platform by metabolic analysis is expected due to the significant advantages of fast, simple, and cost‐effectiveness with high body tolerance. However, the signal of molecule biomarkers is too weak to acquire high‐accuracy diagnosis. Herein, precisely engineered metal–organic frameworks for laser desorption/ionization mass spectrometry, allowing favorable charge transfer within the molecule–substrate interface and mitigated thermal dissipation by adjusting the phonon scattering with metal nodes, are developed. Consequently, a surprising signal enhancement of ≈10 000‐fold is achieved, resulting in diagnosis of three major cancers (liver/lung/kidney cancer) with area‐under‐the‐curve of 0.908–0.964 and accuracy of 83.2%–90.6%, which promises a universal detection tool for large‐scale clinical diagnosis of human cancers.
Switched Photocurrent on Tin Sulfide-Based Nanoplate Photoelectrodes
Publisher: Wiley
Date: 27-01-2017
Abstract: A new type of SnS
Probing the Active Sites of Carbon-Encapsulated Cobalt Nanoparticles for Oxygen Reduction
Publisher: Wiley
Date: 07-02-2019
Gradient‐Concentration Design of Stable Core–Shell Nanostructure for Acidic Oxygen Reduction Electrocatalysis
Publisher: Wiley
Date: 28-06-2020
First-principle study of adsorption of hydrogen on Ti-doped Mg(0001) surface
Publisher: American Chemical Society (ACS)
Date: 03-10-2006
DOI: 10.1021/JP063286O
Abstract: Ab initio density functional theory (DFT) calculations are performed to study the adsorption of H2 molecules on a Ti-doped Mg(0001) surface. We find that two hydrogen molecules are able to dissociate on top of the Ti atom with very small activation barriers (0.103 and 0.145 eV for the first and second H2 molecules, respectively). Additionally, a molecular adsorption state of H2 above the Ti atom is observed for the first time and is attributed to the polarization of the H2 molecule by the Ti cation. Our results parallel recent findings for H2 adsorption on Ti-doped carbon nanotubes or fullerenes. They provide new insight into the preliminary stages of hydrogen adsorption onto Ti-incorporated Mg surfaces.
A model for initial spherical growth during equiaxed solidification
Publisher: Walter de Gruyter GmbH
Date: 2008
A selective etching phenomenon on {001} faceted anatase titanium dioxide single crystal surfaces by hydrofluoric acid
Publisher: Royal Society of Chemistry (RSC)
Date: 2011
DOI: 10.1039/C0CC04848H
Abstract: A selective etching phenomenon on {001} faceted anatase TiO(2) single crystal surfaces by HF and associated etching mechanism are reported. Density functional theory (DFT) calculations reveal that HF stabilizes the grown {001} facets at low concentrations, but selectively destroys the grown {001} facets at high concentrations.
Defect Engineering and Surface Functionalization of Nanocarbons for Metal‐Free Catalysis
Publisher: Wiley
Date: 27-01-2019
Abstract: With the advent of carbon nanotechnology, which initiated significant research efforts more than two decades ago, novel materials for energy harvesting and storage have emerged at an amazing pace. Nevertheless, some fundamental applications are still dominated by traditional materials, and it is especially evident in the case of catalysis, and environmental-related electrochemical reactions, where precious metals such as Pt and Ir are widely used. Several strategies are being explored for achieving competitive and feasible metal-free carbon nanomaterials, among which doping and defect engineering approaches within nanocarbons are recurrent and promising. Here, the most recent efforts regarding the control of doping and defects in carbon nanostructures for catalysis, and in particular for energy-related applications, are addressed. Finally, an overview of alternative proposals that can make a difference when enabling carbon nanomaterials as efficient and emerging catalysts is presented.
Catalytic effects of subsurface carbon in the chemisorption of hydrogen on a Mg(0001) surface: An ab-initio study
Publisher: American Chemical Society (ACS)
Date: 06-01-2006
DOI: 10.1021/JP055972D
Abstract: Ab initio density functional theory (DFT) calculations are performed to explore possible catalytic effects on the dissociative chemisorption of hydrogen on a Mg(0001) surface when carbon is incorporated into Mg materials. The computational results imply that a C atom located initially on a Mg(0001) surface can migrate into the subsurface and occupy an fcc interstitial site, with charge transfer to the C atom from neighboring Mg atoms. The effect of subsurface C on the dissociation of H2 on the Mg(0001) surface is found to be relatively marginal: a perfect sublayer of interstitial C is calculated to lower the barrier by 0.16 eV compared with that on a pure Mg(0001) surface. Further calculations reveal, however, that sublayer C may have a significant effect in enhancing the diffusion of atomic hydrogen into the sublayers through fcc channels. This contributes new physical understanding toward rationalizing the experimentally observed improvement in absorption kinetics of H2 when graphite or single walled carbon nanotubes (SWCNT) are introduced into the Mg powder during ball milling.
Towards easy reversible dehydrogenation of LiBH 4 by catalyzing hierarchic nanostructured CoB
Publisher: Elsevier BV
Date: 11-2014
Hydrogen production from supercritical water gasification of chicken manure
Publisher: Elsevier BV
Date: 12-2016
Bronsted base site engineering of graphitic carbon nitride for enhanced photocatalytic activity
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7TA06602C
Abstract: Through the combination of a HPH method and 2D 15 N SSNMR spectroscopy, the Brønsted base sites of g-C 3 N 4 can be tuned and identified.
Graphene Defects Trap Atomic Ni Species for Hydrogen and Oxygen Evolution Reactions
Publisher: Elsevier BV
Date: 02-2018
Effect of carbon/noncarbon addition on hydrogen storage behaviors of magnesium hydride
Publisher: Elsevier BV
Date: 04-2006
Gasification of diosgenin solid waste for hydrogen production in supercritical water
Publisher: Elsevier BV
Date: 04-2017
An one-step approach towards hydrogen production and storage through regeneration of NaBH4
Publisher: Elsevier BV
Date: 04-2017
Tuning oxygen vacancies in two-dimensional iron-cobalt oxide nanosheets through hydrogenation for enhanced oxygen evolution activity
Publisher: Springer Science and Business Media LLC
Date: 22-05-2018
Interdiffusion within the β-phase region of the Ni-Co-Cr-Al quaternary system
Publisher: Elsevier BV
Date: 03-2010
A cascade surface immobilization strategy to access high-density and closely distanced atomic Pt sites for enhancing alkaline hydrogen evolution reaction
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0TA00495B
Abstract: A stepwise anchoring synthetic strategy has been developed for the closely-distanced atomic Pt catalysts with superior alkaline HER activity, providing a versatile platform for accessing atomic metal catalysts toward various industrial reactions.
Seaweed biomass derived (Ni,Co)/CNT nanoaerogels: Efficient bifunctional electrocatalysts for oxygen evolution and reduction reactions
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6TA00591H
Abstract: Seaweed biomass derived three-dimensional (3D) nanoaerogels demonstrate excellent bifunctionality for oxygen reduction and evolution reactions, showing high performance and cycling durability in zinc–air batteries.
Controllable synthesis of Fe–N4 species for acidic oxygen reduction
Publisher: Wiley
Date: 07-05-2020
DOI: 10.1002/CEY2.47
Abstract: Controllable design and synthesis of catalysts with the target active sites are extremely important for their applications such as for the oxygen reduction reaction (ORR) in fuel cells. However, the controllably synthesizing electrocatalysts with a single type of active site still remains a grand challenge. In this study, we developed a facile and scalable method for fabricating highly efficient ORR electrocatalysts with sole atomic Fe–N 4 species as the active site. Herein, the use of cost‐effective highly porous carbon as the support not only could avoid the aggregation of the atomic Fe species but also a feasible approach to reduce the catalyst cost. The obtained atomic Fe–N 4 in activated carbon (aFe@AC) shows excellent ORR activity. Its half‐wave potential is 59 mV more negative but 47 mV more positive than that of the commercial Pt/C in acidic and alkaline electrolytes, respectively. The full cell performance test results show that the aFe@AC s le is a promising candidate for direct methanol fuel cells. This study provides a general method to prepare catalysts with a certain type of active site and definite numbers.
Semiconductor nanowires for thermoelectrics
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2JM33899H
Long wavelength emissions of periodic yard-glass shaped boron nitride nanotubes
Publisher: AIP Publishing
Date: 12-01-2009
DOI: 10.1063/1.3069278
Abstract: Extraordinary and stable long wavelength emission (centered at ∼685 nm) from the yard-glass shaped boron nitride nanotubes (YG-BNNTs) was observed in their cathodoluminescence and photoluminescence spectroscopy. The mechanism for this near-red light emission at ∼685 nm is attributed to the periodical nature of the BNNT units with regular lattice defects. The visible-light emission from YG-BNNTs indicates that this material has great potential for applications as nano-optical and/or nano-optoelectronic devices in nanoscale surgery and spectroscopy.
Beyond Platinum: Defects Abundant CoP3/Ni2P Heterostructure for Hydrogen Evolution Electrocatalysis
Publisher: Wiley
Date: 06-03-2021
An ethynyl-linked Fe/Co heterometallic phthalocyanine conjugated polymer for the oxygen reduction reaction
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8TA00516H
Abstract: A heterometallic phthalocyanine 2D conjugated polymer with an alternate distribution of Fe and Co fragments has been fabricated, exhibiting excellent oxygen reduction reaction catalytic activity comparable to Pt/C.
Controlled Asymmetric Charge Distribution of Active Centers in Conjugated Polymers for Oxygen Reduction
Publisher: Wiley
Date: 18-11-2021
Abstract: Active center reconstruction is essential for high performance oxygen reduction reaction (ORR) electrocatalysts. Usually, the ORR activity stems from the electronic environment of active sites by charge redistribution. We introduce an asymmetry strategy to adjust the charge distribution of active centers by designing conjugated polymer (CP) catalysts with different degrees of asymmetry. We synthesized asymmetric backbone CP ( asy‐PB ) by modifying B←N coordination bonds and asymmetric sidechain CP ( asy‐PB‐A ) with different alkyl chain lengths. Both CPs with backbone and sidechain asymmetry exhibit superior ORR performance to their symmetric counterparts ( sy‐P and sy‐PB ). The asy‐PB with greater asymmetry shows higher catalytic activity than asy‐PB‐A with relatively smaller asymmetry. DFT calculations reveal that the increased dipole moment and non‐uniform charge distribution caused by asymmetric structure endows the center carbon atom of bipyridine with efficient catalytic activity.
Hydrogen Incorporation and Storage in Well-Defined Nanocrystals of Anatase Titanium Dioxide
Publisher: American Chemical Society (ACS)
Date: 07-12-2011
DOI: 10.1021/JP210472P
Atomic hydrogen diffusion in novel magnesium nanostructures: The impact of incorporated subsurface carbon atoms
Publisher: IOP Publishing
Date: 2006
Enhanced Hydrogen Storage Kinetics and Stability by Synergistic Effects of in Situ Formed CeH2.73 and Ni in CeH2.73-MgH2-Ni Nanocomposites
Publisher: American Chemical Society (ACS)
Date: 08-04-2014
DOI: 10.1021/JP500439N
Modeling and experimental study of the interface morphology and growth kinetics of fibrous eutectic solidification
Publisher: Springer Science and Business Media LLC
Date: 12-2006
Abstract: Experimental studies of fibrous eutectic growth in succinonitrile–c hor reveal that models of the stable range of interfibrous spacings must incorporate the dynamic effects and the instability of the growth front of the fibrous phase, which determines the fineness and regularity of the microstructures. An analytical mathematical model for fibrous eutectic growth has been developed and compared with the experimental results. The selected wavelength scales obey , where d 0 , l s , l t are the capillary, diffusion, and thermal lengths, respectively. While only at a relatively high growth rate or steep temperature gradient, the scaling law λ 2 V = constant is fulfilled. It is found that the selected band of interfibrous spacings is very narrow. This means that the interfibrous spacing is almost unique at a given growth rate and a fixed temperature gradient. The effects of convection on the interfibrous spacing selection and fibrous phase instability of short wavelength perturbations have also been investigated. These studies reveal that the controlled solidification of a fibrous eutectic produces a very fine and regular microstructure.
Catalytic Nanocarbons: Defect Engineering and Surface Functionalization of Nanocarbons for Metal‐Free Catalysis (Adv. Mater. 13/2019)
Publisher: Wiley
Date: 03-2019
Anatase TiO2 Crystal Facet Growth: Mechanistic Role of Hydrofluoric Acid and Photoelectrocatalytic Activity
Publisher: American Chemical Society (ACS)
Date: 07-06-2011
DOI: 10.1021/AM200363P
Abstract: This work reports a facile hydrothermal approach to directly grow anatase TiO(2) crystals with exposed {001} facets on titanium foil substrate by controlling pH of HF solution. The mechanistic role of HF for control growth of the crystal facet of anatase TiO(2) crystals has been investigated. The results demonstrate that controlling solution pH controls the extent of surface fluorination of anatase TiO(2), hence the size, shape, morphology, and {001} faceted surface area of TiO(2) crystals. The theoretical calculations reveal that {001} faceted surface fluorination of anatase TiO(2) can merely occur via dissociative adsorption of HF molecules under acidic conditions while the adsorption of Na(+)F(-) is thermodynamically prohibited. This confirms that the presence of molecular form of HF but not F(-) is essential for preservation of exposed {001} facets of anatase TiO(2). Anatase TiO(2) crystals with exposed {001} facets can be directly fabricated on titanium foil by controlling the solution pH ≤ 5.8. When pH is increased to near neutral and beyond (e.g., pH ≥ 6.6), the insufficient concentration of HF ([HF] ≤ 0.04%) dramatically reduces the extent of surface fluorination, leading to the formation of anatase TiO(2) crystals with {101} facets and titanate nanorods/nanosheets. The anatase TiO(2) nanocrystals with exposed {001} facets exhibits a superior photoelectrocatalytic activity toward water oxidation. The findings of this work clarify the mechanistic role of HF for controlling the crystal facet growth, providing a facile means for massive production of desired nanostructures with high reactive facets on solid substrates for other metal oxides.
Charge Polarization from Atomic Metals on Adjacent Graphitic Layers for Enhancing the Hydrogen Evolution Reaction
Publisher: Wiley
Date: 24-06-2019
Abstract: Atomic metal species-based catalysts (AMCs) show remarkable possibilities in various catalytic reactions. The coordination configuration of the metal atoms has been widely recognized as the determining factor to the electronic structure and the catalytic activity. However, the synergistic effect between the adjacent layers of the multilayered AMCs is always neglected. We reported an atomic Co and Pt co-trapped carbon catalyst, which exhibits a ultrahigh activity for HER in the wide range of pH (η
Computational study of methyl derivatives of ammonia borane for hydrogen storage
Publisher: Royal Society of Chemistry (RSC)
Date: 2008
DOI: 10.1039/B807776B
Abstract: The structures and thermodynamic properties of methyl derivatives of ammonia-borane (BH3NH3, AB) have been studied with the frameworks of density functional theory and second-order Møller-Plesset perturbation theory. It is found that, with respect to pure, methyl ammonia-boranes show higher complexation energies and lower reaction enthalpies for the release of H2, together with a slight increment of the activation barrier. These results indicate that the methyl substitution can enhance the reversibility of the system and prevent the formation of BH3/NH3, but no enhancement of the release rate of H2 can be expected.
Modeling of grain refinement: Part III. Al–7Si–0.3Mg aluminum alloy
Publisher: Springer Science and Business Media LLC
Date: 05-2008
Abstract: Following Part I [X. Yao, et al., J. Mater. Res. 23 (5), 1282 (2008)] and Part II [X. Yao, et al., J. Mater. Res. 23 (5), 1292 (2008)] the cellular automation–finite control volume method (CAFVM) model was used to study the grain formation and microstructure morphology resulting from solidification of a commercial Al–Si–Mg alloy with Al–Ti–B grain refiner additions. The model incorporates the effect of the introduced solute Ti and the alloying elements of Si and Mg on the growth restriction factor, constitutional undercooling, and nucleation parameters. With respect to grain refinement, it is found that the alloying elements, Si and Mg, play a role that is similar to Ti qualitatively while different quantitatively. Accordingly, a concept of “equivalent solute” determined by phase diagram parameters such as the solute partitioning coefficient and the liquidus slope is proposed to clarify the effect of each solute in the alloy on grain formation during solidification. Based on the calculations and on comparison to the experimental data, a possible mechanism of grain refinement in this alloy system is proposed.
First principle study of hydrogenation of MgB 2 : An important step toward reversible hydrogen storage in the coupled LiBH 4 /MgH 2 system
Publisher: American Scientific Publishers
Date: 07-2009
DOI: 10.1166/JNN.2009.M65
Abstract: Recent experiments [F. E. Pinkerton, M. S. Meyer, G. P. Meisner, M. P. Balogh, and J. J. Vajo, J. Phys. Chem. C 111, 12881 (2007) and J. J. Vajo and G. L. Olson, Scripta Mater. 56, 829 (2007)] demonstrated that the recycling of hydrogen in the coupled LiBH4/MgH2 system is fully reversible. The rehydrogenation of MgB2 is an important step toward the reversibility. By using ab initio density functional theory calculations, we found that the activation barrier for the dissociation of H2 are 0.49 and 0.58 eV for the B and Mg-terminated MgB2(0001) surface, respectively. This implies that the dissociation kinetics of H2 on a MgB2(0001) surface should be greatly improved compared to that in pure Mg materials. Additionally, the diffusion of dissociated H atom on the Mg-terminated MgB2(0001) surface is almost barrier-less. Our results shed light on the experimentally-observed reversibility and improved kinetics for the coupled LiBH4/MgH2 system.
Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5CE00378D
Bimetallic ZIF derived Co nanoparticle anchored N-doped porous carbons for an efficient oxygen reduction reaction
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/C9QI01487J
Abstract: A high-performance electrocatalytic material was derived from a new bimetallic ZIF precursor, exhibiting excellent oxygen reduction reaction performance with a half-wave potential ( E 1/2 ) of 0.849 V, superior to that of commercial Pt/C.
Effect of pore structure of activated carbon fibers on hydrogen adsorption
Publisher: Springer Netherlands
Date: 2008
Nanosheets Co<inf>3</inf>O<inf>4</inf> Interleaved with Graphene for Highly Efficient Oxygen Reduction
Publisher: American Chemical Society (ACS)
Date: 15-09-2015
Abstract: Efficient yet inexpensive electrocatalysts for oxygen reduction reaction (ORR) are an essential component of renewable energy devices, such as fuel cells and metal-air batteries. We herein interleaved novel Co3O4 nanosheets with graphene to develop a first ever sheet-on-sheet heterostructured electrocatalyst for ORR, whose electrocatalytic activity outperformed the state-of-the-art commercial Pt/C with exceptional durability in alkaline solution. The composite demonstrates the highest activity of all the nonprecious metal electrocatalysts, such as those derived from Co3O4 nanoparticle/nitrogen-doped graphene hybrids and carbon nanotube/nanoparticle composites. Density functional theory (DFT) calculations indicated that the outstanding performance originated from the significant charge transfer from graphene to Co3O4 nanosheets promoting the electron transport through the whole structure. Theoretical calculations revealed that the enhanced stability can be ascribed to the strong interaction generated between both types of sheets.
Lithium-Catalyzed Dehydrogenation of Ammonia Borane within Mesoporous Carbon Framework for Chemical Hydrogen Storage
Publisher: Wiley
Date: 08-01-2009
Electron‐Tomography Determination of the Packing Structure of Macroporous Ordered Siliceous Foams Assembled From Vesicles
Publisher: Wiley
Date: 29-01-2009
Abstract: The packing structures of macroporous ordered siliceous foams (MOSFs) are systematically investigated by using a 3D electron tomography technique and the nanostructural characteristics for layered MOSFs are resolved. MOSF materials adopt an ordered 2D hexagonal arrangement in single-layered areas, regular honeycomb patterns in double-layered s les, and polyhedric cells similar to a Weaire-Phelan structure in multilayered areas, all following the principle of minimizing surface area, which is well understood in soap foams at the macroscopic scale. In surfactant-templated materials, liquid-crystal templating is generally applied, but here it is revealed that the surface-area-minimization principle can also be applied, which facilitates the design and synthesis of novel macroporous materials using surfactant molecules as templates.
Effect of titanium based complex catalyst and carbon nanotubes on hydrogen storage performance of magnesium
Publisher: Springer Science and Business Media LLC
Date: 28-02-2013
Modeling of grain refinement: Part I. Effect of the solute titanium for aluminum
Publisher: Springer Science and Business Media LLC
Date: 05-2008
Abstract: Over the past few decades, the grain refinement of Al alloys has been extensively investigated theoretically and experimentally. However, the relative importance of the parameters that contribute to grain refinement still remains unclear and is likely to be dependent on specific solidification conditions. This paper aims to investigate the mechanisms by which Ti, a common grain-refining addition in commercial-purity aluminum (CP), contributes to grain refinement using a cellular automaton—finite control volume method (CAFVM). CAFVM is used to model the grain formation and microstructure morphology under different conditions, e.g., with and without refiners, for Al alloys. In this Part I, the effect of adding solute of Ti on grain formation through its effect on growth restriction, constitutional undercooling, and the formation of extra-potential particles are taken into account in the calculations. It is shown that the calculated results are in reasonable agreement with the experimental data.
Modeling of grain refinement: Part II. Effect of nucleant particles—TiB2 additions for aluminum
Publisher: Springer Science and Business Media LLC
Date: 05-2008
Abstract: Following the discussion of modeling grain refinement in Part I, [X. Yao, et al., J. Mater. Res. 23 (5), 1282, the effect of Al–Ti–B master alloy additions on grain formation in commercial-purity (CP) aluminum was investigated. The characteristics of the addition particles as applicable to the model are presented. The effect of adding TiB 2 particles, the introduction of extra particles by reactions in the melt, and the effect of adding extra solute Ti are all modeled. The distribution of the potential particles and its effect on grain formation was also modeled to establish the relationship between the grain size and microstructure morphology and the additive characteristics. The calculated results are comparable with experimental data. Accordingly, possible mechanisms of grain refinement with Al–Ti–B refiners were proposed.
The role of V2 O5 on the dehydrogenation and hydrogenation in magnesium hydride: An ab initio study
Publisher: AIP Publishing
Date: 21-04-2008
DOI: 10.1063/1.2916828
Abstract: Ab initio density functional theory calculations are performed to study the experimentally observed catalytic role of V2O5 in the recycling of hydrogen in magnesium hydride. We find that the Mg–H bond length becomes elongated when MgH2 clusters are positioned on single, two, and three coordinated oxygen sites (O1, O2, and O3) on the V2O5(001) surface. Molecular hydrogen is predicted to spontaneously form at the hole site on the V2O5(001) surface. Additionally, the activation barrier for the dissociation of hydrogen on V-doped Mg(0001) surface is 0.20eV, which is only 15 of that on pure Mg(0001) surface. Our results indicate that oxygen sites on the V2O5(001) surface and the V dopant in Mg may be important facilitators for dehydrogenation and rehydrogenation, respectively. The understanding gained here will aid in the rational design and development of Mg-based hydrogen storage materials.
Relationship between degeneration of M7 C3 and precipitation of M23 C6 in a cobalt base superalloy
Publisher: Informa UK Limited
Date: 05-1999
Confined LiBH4 : Enabling fast hydrogen release at ∼100 °c
Publisher: Elsevier BV
Date: 12-2012
Evaluation of a cobalt–molybdenum–boron catalyst for hydrogen generation of alkaline sodium borohydride solution–aluminum powder system
Publisher: Elsevier BV
Date: 02-2013
Influence of Co addition on constituent phases and performance of a NiCrAlYRe alloy system
Publisher: Elsevier BV
Date: 08-2011
Air cathode of zinc–air batteries: a highly efficient and durable aerogel catalyst for oxygen reduction
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8NR07386D
Abstract: Encapsulated Co 3 O 4 @Co nanoparticles assembled on N-doped r-GO aerogels with high ORR and ZAB performances are synthesized via a biomass conversion strategy.
Identification of active sites for acidic oxygen reduction on carbon catalysts with and without nitrogen doping
Publisher: Springer Science and Business Media LLC
Date: 17-06-2019
Roles of trifluoroacetic acid, acetic acid and their salts in the synthesis of helical mesoporous materials
Publisher: Springer Science and Business Media LLC
Date: 17-03-2009
NaBH4 regeneration from NaBO2 by high-energy ball milling and its plausible mechanism
Publisher: Elsevier BV
Date: 05-2017
Scalable and Cost‐Effective Synthesis of Highly Efficient Fe2N‐Based Oxygen Reduction Catalyst Derived from Seaweed Biomass
Publisher: Wiley
Date: 11-01-2016
Abstract: A simple and scalable synthesis of a 3D Fe2N-based nanoaerogel is reported with superior oxygen reduction reaction activity from waste seaweed biomass, addressed the growing energy scarcity. The merits are due to the synergistic effect of the 3D porous hybrid aerogel support with excellent electrical conductivity, convenient mass transport and O2 adsorption, and core/shell structured Fe2N/N-doped amorphous carbon nanoparticles.
Dehydrogenation of Ammonia Borane Confined by Low-Density Porous Aromatic Framework
Publisher: American Chemical Society (ACS)
Date: 03-12-2012
DOI: 10.1021/JP308066E
Nano-confined ammonia borane for chemical hydrogen storage
Publisher: Springer Science and Business Media LLC
Date: 09-02-2012
Assessment of sugarcane bagasse gasification in supercritical water for hydrogen production
Publisher: Elsevier BV
Date: 07-2018
Carbon for the oxygen reduction reaction: a defect mechanism
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5TA02229K
Abstract: A new defect mechanism for the ORR was proposed based on the theoretical calculations and our experimental results.
Electronic Structure Tuning in Ni3FeN/r-GO Aerogel toward Bifunctional Electrocatalyst for Overall Water Splitting
Publisher: American Chemical Society (ACS)
Date: 02-01-2018
Abstract: Searching for the highly active, stable, and high-efficiency bifunctional electrocatalysts for overall water splitting, e.g., for both oxygen evolution (OER) and hydrogen evolution (HER), is paramount in terms of bringing future renewable energy systems and energy conversion processes to reality. Herein, three-dimensional (3D) Ni
Anatase TiO2 microspheres with exposed mirror-like plane {001} facets for high performance dye-sensitized solar cells (DSSCs)
Publisher: Royal Society of Chemistry (RSC)
Date: 2010
DOI: 10.1039/C0CC03196H
Abstract: Anatase TiO(2) microspheres with exposed mirror-like plane {001} facets were successfully synthesized via a facile hydrothermal process. The photoanode composed of TiO(2) microsphere top layer shows an improved DSSCs efficiency owing to the superior light scattering effect of microspheres and excellent light reflecting ability of the mirror-like plane {001} facets.
Growth, Cathodoluminescence and Field Emission of ZnS Tetrapod Tree-like Heterostructures
Publisher: Wiley
Date: 06-10-2008
Phase constituents and thermal expansion behavior of a NiCrAlYRe coating alloy
Publisher: Springer Science and Business Media LLC
Date: 07-10-2011
The role of Ti as a catalyst for the dissociation of hydrogen on a Mg(0001) surface
Publisher: American Chemical Society (ACS)
Date: 09-2005
DOI: 10.1021/JP052804C
Abstract: In this paper, the dissociative chemisorption of hydrogen on both pure and Ti-incorporated Mg(0001) surfaces are studied by ab initio density functional theory (DFT) calculations. The calculated dissociation barrier of hydrogen molecule on a pure Mg(0001) surface (1.05 eV) is in good agreement with comparable theoretical studies. For the Ti-incorporated Mg(0001) surface, the activated barrier decreases to 0.103 eV due to the strong interaction between the molecular orbital of hydrogen and the d metal state of Ti. This could explain the experimentally observed improvement in absorption kinetics of hydrogen when transition metals have been introduced into the magnesium materials.
Valence band structure of the NiAl-Mo alloy from the photoelectron spectrum
Publisher: Informa UK Limited
Date: 05-2010
Structure, reactivity, photoactivity and stability of Ti-O based materials: a theoretical comparison
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2CP23143C
Abstract: Ti-O based materials have attracted great attention recently for their potential applications in clean energy generation and environment remediation. To screen Ti-O based materials for specific applications, the atomic-level understanding of the subtle discrepancy of their properties is of paramount importance. In this regard, the density functional theory computations have been performed to systematically compare the physicochemical properties of three selected Ti-O based materials: anatase titanium dioxides, sodium trititanates and sodium hexatitanates. Due to their structure discrepancy, sodium trititanates show the highest chemical reactivity. However, titanium dioxides are found to be the most photoactive materials. The reactivity and photoactivity of sodium hexatitanates fall between those of titanium dioxide and sodium trititanates. In the meantime, our energetic analysis also confirms that the thermal stabilities of Ti-O based materials are strongly dependent on the acid-base conditions. Titanium dioxides are preferred under acidic conditions, while titanates are more stable in basic solutions.
Geometric structure of rutile titanium dioxide (111) surfaces
Publisher: American Physical Society (APS)
Date: 10-07-2014
Modelling of grain size transition with alloy concentration in solidified Al–Si alloys
Publisher: Springer Science and Business Media LLC
Date: 21-08-2007
On the hydrogen desorption entropy change of modified MgH2
Publisher: Elsevier BV
Date: 03-2018
Engineering the band gap of bare titanium dioxide materials for visible-light activity: a theoretical prediction
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3RA40239H
Effect of solute on the growth rate and the constitutional undercooling ahead of the advancing interface during solidification of an alloy and the implications for nucleation
Publisher: Springer Science and Business Media LLC
Date: 10-2006
Abstract: A framework is presented for modeling the nucleation in the constitutionally supercooled liquid ahead of the advancing solid/liquid interface. The effects of temperature gradient, imposed velocity, slope of liquidus, and initial concentration have been taken into account in this model by considering the effect of interface retardation, which is caused by solute buildup at the interface. Furthermore, the effect of solute concentration on the chemical driving force for nucleation has been considered in this model. The model is used for describing the nucleation of Al–Si and Al–Cu alloys. It was found that the solute of Si has a significant impact on the chemical driving force for nucleation in Al–Si alloys whereas Cu has almost no effect in Al–Cu alloys.
Insight into the design of defect electrocatalysts: From electronic structure to adsorption energy
Publisher: Elsevier BV
Date: 12-2019
Activated carbon becomes active for oxygen reduction and hydrogen evolution reactions
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6CC03687B
Abstract: A facile defect creation method was used to enable the inert activated carbon into a highly active ORR and HER electrocatalyst.
Defects on carbons for electrocatalytic oxygen reduction
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7CS00690J
Abstract: A general defect promoted catalysis mechanism is established to reveal the active sites of various defective carbon based ORR electrocatalysts.
Defective Structures in Metal Compounds for Energy‐Related Electrocatalysis
Publisher: Wiley
Date: 16-11-2020
Hydrogen spillover mechanism on a Pd-doped Mg surface as revealed by ab initio density functional calculation
Publisher: American Chemical Society (ACS)
Date: 31-07-2007
DOI: 10.1021/JA0722776
Abstract: The hydrogenation kinetics of Mg is slow, impeding its application for mobile hydrogen storage. We demonstrate by ab initio density functional theory (DFT) calculations that the reaction path can be greatly modified by adding transition metal catalysts. Contrasting with Ti doping, a Pd dopant will result in a very small activation barrier for both dissociation of molecular hydrogen and diffusion of atomic H on the Mg surface. This new computational finding supports-for the first time by ab initio simulation-the proposed hydrogen spillover mechanism for rationalizing experimentally observed fast hydrogenation kinetics for Pd-capped Mg materials.
Catalytic hydrogenation of carbon dioxide to fuels
Publisher: Bentham Science Publishers Ltd.
Date: 18-07-2014
On interdiffusion in the multicomponent β-NiAl phase
Publisher: Elsevier BV
Date: 07-2009
Target synthesis of a novel porous aromatic framework and its highly selective separation of CO2 /CH4
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3CC38474H
Abstract: A novel porous aromatic framework based on tetra-(4-anilyl)-methane and cyanuric chloride has been designed and synthesized successfully, which possesses permanent porosity and high selectivity of CO2 towards CH4.
Boosting hydrogen evolution: Via optimized hydrogen adsorption at the interface of CoP3 and Ni2 P
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7TA10902D
Abstract: Phase interface between CoP 3 and Ni 2 P was constructed along (336̄2̄) Ni 2 P/(1̄11)CoP 3 to boost HER.
Catalytic effect of Al3Ti on the reversible dehydrogenation of NaAlH4
Publisher: Elsevier BV
Date: 11-2006
Hydrogen generation via hydrolysis of magnesium with seawater using Mo, MoO2, MoO3 and MoS2 as catalysts
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7TA02457F
Abstract: MoS 2 could significantly enhance the hydrolysis of Mg and the recycled MoS 2 catalyst exhibited high recycling stability.
Edge‐Rich Fe−N4 Active Sites in Defective Carbon for Oxygen Reduction Catalysis
Publisher: Wiley
Date: 05-03-2020
Magnesium-based materials for hydrogen storage: Recent advances and future perspectives
Publisher: Elsevier BV
Date: 08-2008
Hydrogen diffusion and effect of grain size on hydrogenation kinetics in magnesium hydrides
Publisher: Springer Science and Business Media LLC
Date: 02-2008
Abstract: Hydrogenation and dehydrogenation of metal hydrides are of great interest because of their potential in on-board applications for hydrogen vehicles. This paper aims to study hydrogen diffusion in metal hydrides, which is generally considered to be a controlling factor of hydrogenation/dehydrogenation. The present work first calculated temperature-dependent hydrogen diffusion coefficients by a theoretical model incorporated with experimental data in a Mg-based system and accordingly the activation energy. The grain size effect on diffusion in nanoscale was also investigated.
Supercritical Water Gasification of Coal with Waste Black Liquor as Inexpensive Additives
Publisher: American Chemical Society (ACS)
Date: 11-12-2015
DOI: 10.1021/EF502110D
Generating lithium vacancies through delithiation of Li(Nix Coy Mnz )O2 towards bifunctional electrocatalysts for rechargeable zinc-air batteries
Publisher: Elsevier BV
Date: 11-2018
Metal-Free Thiophene-Sulfur Covalent Organic Frameworks: Precise and Controllable Synthesis of Catalytic Active Sites for Oxygen Reduction
Publisher: American Chemical Society (ACS)
Date: 20-04-2020
DOI: 10.1021/JACS.0C02225
Theoretical Understanding and Prediction of Lithiated Sodium Hexatitanates
Publisher: American Chemical Society (ACS)
Date: 02-2013
DOI: 10.1021/AM302907V
Abstract: Sodium hexatitanates (Na(2)Ti(6)O(13)) with tunnelled structures have been experimentally proposed to be good candidates for anode materials of lithium ion batteries because of their low potential, small shape transformation, and good reversibility. The understanding of the properties of this lithiated titanate is significant for their development. To this end, the first-principle calculations were performed to investigate the interaction between Li ions and Na(2)Ti(6)O(13) at the atomic level. After structural optimization with various Li:Ti ratios, the Li ions are found to energetically prefer to stay at the small rhombic tunnels of Na(2)Ti(6)O(13), where the diffusion energy barrier of Li ions is also lower. Such preference is determined by the chemical environment around Li ions. Our theoretical intercalation potential and volume change on the basis of the optimized atomic structures agree with the experimental observations. The analysis of the electronic properties reveals the Burstein-Moss effect in lithiated Na(2)Ti(6)O(13) due to the heavy n-type doping. Such materials possess high conductivity, which can benefit their applications in photoelectrochemical or electrochemical areas.
Synthesis and characterization of (h0l) oriented high-silica zeolite beta membrane
Publisher: Elsevier BV
Date: 08-2009
Effects of SWNT and metallic catalyst on hydrogen absorption/desorption performance of MgH2
Publisher: American Chemical Society (ACS)
Date: 04-11-2005
DOI: 10.1021/JP0545041
Abstract: The microstructure and absorption/desorption characteristics of composite MgH2 and 5 wt % as-prepared single-walled carbon nanotubes (MgH2-5ap) obtained by the mechanical grinding method were investigated. Experimental results show that the MgH2-5ap s le exhibits faster absorption kinetics and relatively lower desorption temperature than pure MgH2 or MgH2-purified single-walled carbon nanotube composite. Storage capacities of 6.0 and 4.2 wt % hydrogen for the MgH2-5ap composite were achieved in 60 min at 423 and 373 K, respectively. Furthermore, its desorption temperature was reduced by 70 K due to the introduction of as-prepared single-walled carbon nanotubes (SWNTs). In addition, the different effects of SWNTs and metallic catalysts contained in the as-prepared SWNTs were also investigated and a hydrogenation mechanism was proposed. It is suggested that metallic particles may be mainly responsible for the improvement of the hydrogen absorption kinetics, and SWNTs for the enhancement of hydrogen absorption capacity of MgH2.
Catalytically enhanced hydrogen sorption in Mg-MgH<inf>2</inf> by coupling vanadium-based catalyst and carbon nanotubes
Publisher: MDPI AG
Date: 12-06-2015
DOI: 10.3390/MA8063491
Single crystal α-Fe2O3 with exposed {104} facets for high performance gas sensor applications
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2RA20797D
Nb2 O5 -γ-Al2 O3 nanofibers as heterogeneous catalysts for efficient conversion of glucose to 5-hydroxymethylfurfural
Publisher: Springer Science and Business Media LLC
Date: 26-09-2016
DOI: 10.1038/SREP34068
Abstract: One-dimensional γ-Al 2 O 3 nanofibers were modified with Nb 2 O 5 to be used as an efficient heterogeneous catalyst to catalyze biomass into 5-hydroxymethylfurfural (5-HMF). At low Nb 2 O 5 loading, the niobia species were well dispersed on γ-Al 2 O 3 nanofiber through Nb–O–Al bridge bonds. The interaction between Nb 2 O 5 precursor and γ-Al 2 O 3 nanofiber results in the niobia species with strong Lewis acid sites and intensive Brønsted acid sites, which made 5-HMF yield from glucose to reach the maximum 55.9~59.0% over Nb 2 O 5 -γ-Al 2 O 3 nanofiber with a loading of 0.5~1 wt% Nb 2 O 5 at 150 °C for 4 h in dimethyl sulfoxide. However, increasing Nb 2 O 5 loading could lead to the formation of two-dimensional polymerized niobia species, three-dimensional polymerized niobia species and crystallization, which significantly influenced the distribution and quantity of the Lewis acid sites and Brönst acid sites over Nb 2 O 5 -γ-Al 2 O 3 nanofiber. Lewis acid site Nb δ+ played a key role on the isomerization of glucose to fructose, while Brønsted acid sites are more active for the dehydration of generated fructose to 5-HMF. In addition, the heterogeneous Nb 2 O 5 -γ-Al 2 O 3 nanofiber catalyst with suitable ratio of Lewis acid to Brönsted sites should display an more excellent catalytic performance in the conversion of glucose to 5-HMF.
A Surfactant-Free and Scalable General Strategy for Synthesizing Ultrathin Two-Dimensional Metal-Organic Framework Nanosheets for the Oxygen Evolution Reaction
Publisher: Wiley
Date: 08-08-2019
Abstract: Metal-organic framework (MOFs) two-dimensional (2D) nanosheets have many coordinatively unsaturated metal sites that act as active centres for catalysis. To date, limited numbers of 2D MOFs nanosheets can be obtained through top-down or bottom-up synthesis strategies. Herein, we report a 2D oxide sacrifice approach (2dOSA) to facilely synthesize ultrathin MOF-74 and BTC MOF nanosheets with a flexible combination of metal sites, which cannot be obtained through the delamination of their bulk counterparts (top-down) or the conventional solvothermal method (bottom-up). The ultrathin iron-cobalt MOF-74 nanosheets prepared are only 2.6 nm thick. The s le enriched with surface coordinatively unsaturated metal sites, exhibits a significantly higher oxygen evolution reaction reactivity than bulk FeCo MOF-74 particles and the state-of-the-art MOF catalyst. It is believed that this 2dOSA could provide a new and simple way to synthesize various ultrathin MOF nanosheets for wide applications.
Defect Graphene as a Trifunctional Catalyst for Electrochemical Reactions
Publisher: Wiley
Date: 13-09-2016
Abstract: Defects derived by the removal of heteroatoms from graphene are demonstrated, both experimentally and theoretically, to be effective for all three basic electrochemical reactions, e.g., oxygen reduction (ORR), oxygen evolution (OER), and hydrogen evolution (HER). Density function theory calculations further reveal that the different types of defects are essential for the in idual electrocatalytic activity for ORR, OER, and HER, respectively.
Charge Polarization from Atomic Metals on Adjacent Graphitic Layers for Enhancing the Hydrogen Evolution Reaction
Publisher: Wiley
Date: 25-06-2019
In situ photochemical synthesis of Zn-Doped Cu2 O hollow microcubes for high efficient photocatalytic H2 Production
Publisher: American Chemical Society (ACS)
Date: 05-2014
DOI: 10.1021/SC500045E
Hydrogenation/dehydrogenation in MgH2-activated carbon composites prepared by ball milling
Publisher: Elsevier BV
Date: 05-2012
Vapor‐Phase Hydrothermal Growth of Novel Segmentally Configured Nanotubular Crystal Structure
Publisher: Wiley
Date: 16-04-2013
Abstract: A new form of nanotubular crystal structure is directly grown by a vapor-phase hydrothermal method via an epitaxial orientated crystal growth mechanism. The as-prepared nanotubes possess a unique multi-tunnel core-shell layered nanotubular structure with droplet shaped polygonal periphery and segmental crystal configuration. They are dimension-tunable and demonstrate superior ion exchange properties in terms of exchange rate and ion accommodating capacity.
A highly crystalline Nb3 O7 F nanostructured photoelectrode: Fabrication and photosensitisation
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3TA11042G
Destabilization of Mg-H bonding through nano-interfacial confinement by unsaturated carbon for hydrogen desorption from MgH2
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3CP50515D
Abstract: We propose a new mechanism for destabilizing Mg-H bonding by means of a combination of the size effect and MgH2-carbon scaffold interfacial bonding, and experimentally realize low temperature hydrogen release starting from 50 °C using an MgH2@CMK-3 nanoconfinement system (37.5 wt% MgH2 loading amount). Based on computational calculations, it is found that the charge transfer from MgH2 to the carbon scaffold plays a critical role in the significant reduction of thermodynamics of MgH2 dehydrogenation. Our results suggest how to explore an alternative route for the enhancement of nano-interfacial confinement to destabilize the Mg-H hydrogen storage system.
Fluorine-Doped Porous Single-Crystal Rutile TiO2 Nanorods for Enhancing Photoelectrochemical Water Splitting
Publisher: Wiley
Date: 24-07-2014
Abstract: Fluorine-doped hierarchical porous single-crystal rutile TiO(2) nanorods have been synthesized through a silica template method, in which F(-) ions acts as both n-type dopants and capping agents to make the isotropic growth of the nanorods. The combination of high crystallinity, abundant surface reactive sites, large porosity, and improved electronic conductivity leads to an excellent photoelectrochemical activity. The photoanode made of F-doped porous single crystals displays a remarkably enhanced solar-to-hydrogen conversion efficiency (≈0.35 % at -0.33 V vs. Ag/AgCl) under 100 mW cm(-2) of AM=1.5 solar simulator illumination that is ten times of the pristine solid TiO(2) single crystals.
Self-assembly and cathodoluminescence of microbelts from Cu-doped boron nitride nanotubes
Publisher: American Chemical Society (ACS)
Date: 29-07-2008
DOI: 10.1021/NN800211Z
Defect electrocatalytic mechanism: concept, topological structure and perspective
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8QM00070K
Abstract: This review focuses on an in-depth understanding of carbon defects and an account of defective carbon-based materials for advanced electrocatalysis.
Metallic and Carbon Nanotube-Catalyzed Coupling of Hydrogenation in Magnesium
Publisher: American Chemical Society (ACS)
Date: 23-11-2007
DOI: 10.1021/JA0751431
Abstract: Synergistic effect of metallic couple and carbon nanotubes on Mg results in an ultrafast kinetics of hydrogenation that overcome a critical barrier of practical use of Mg as hydrogen storage materials. The ultrafast kinetics is attributed to the metal-H atomic interaction at the Mg surface and in the bulk (energy for bonding and releasing) and atomic hydrogen diffusion along the grain boundaries (aggregation of carbon nanotubes) and inside the grains. Hence, a hydrogenation mechanism is presented.
Controlled evolution from multilamellar vesicles to hexagonal mesostructures through the addition of 1,3,5-trimethylbenzene
Publisher: Elsevier BV
Date: 08-2009
DOI: 10.1016/J.JCIS.2009.03.042
Abstract: Self-assembled porous silica materials with adjustable structures and tunable pore sizes have important applications in catalysis, separation, and nanoscience. Organic cosolvents such as 1,3,5-trimethylbenzene (TMB) can be used to synthesize large pore mesoporous materials. In this study, we systematically studied the influence of the time of TMB addition on the self-assembled organic/inorganic composite structures in a nonionic block copolymer templating system. By controlling the time at which TMB is added to the system, an evolution from multilamellar vesicle to ordered hexagonal mesostructure has been observed. TMB is a swell agent in our synthesis, an increase in the delay of TMB addition can kinetically reduce the amount of TMB penetrating into the hydrophobic core of embryonic mesostructure, leading to cooperatively self-assembled vesicular and mesostructured materials with decreased packing parameters. Our results have shown that, in the simple synthesis system of traditional SBA-15 material, siliceous materials with a range of structures can be rationally designed and synthesized through the addition of TMB at different times. Such materials with tunable pore structures have potential applications as microcapsules and controlled release/delivery carriers.
Defective Carbons for Electrocatalytic Oxygen Reduction
Publisher: Wiley
Date: 03-09-2018
Express penetration of hydrogen on Mg(10͞13) along the close-packed-planes
Publisher: Springer Science and Business Media LLC
Date: 06-2015
DOI: 10.1038/SREP10776
Abstract: Metal atoms often locate in energetically favorite close-packed planes, leading to a relatively high penetration barrier for other atoms. Naturally, the penetration would be much easier through non-close-packed planes, i.e. high-index planes. Hydrogen penetration from surface to the bulk (or reversely) across the packed planes is the key step for hydrogen diffusion, thus influences significantly hydrogen sorption behaviors. In this paper, we report a successful synthesis of Mg films in preferential orientations with both close- and non-close-packed planes, i.e. (0001) and a mix of (0001) and (10"Equation missing" 3), by controlling the magnetron sputtering conditions. Experimental investigations confirmed a remarkable decrease in the hydrogen absorption temperature in the Mg (10"Equation missing" 3), down to 392 K from 592 K of the Mg film (0001), determined by the pressure-composition-isothermal (PCI) measurement. The ab initio calculations reveal that non-close-packed Mg(10"Equation missing" 3) slab is advantageous for hydrogen sorption, attributing to the tilted close-packed-planes in the Mg(10"Equation missing" 3) slab.
A Surfactant‐Free and Scalable General Strategy for Synthesizing Ultrathin Two‐Dimensional Metal–Organic Framework Nanosheets for the Oxygen Evolution Reaction
Publisher: Wiley
Date: 08-08-2019
Zinc sulfide nanowire arrays on silicon wafers for field emitters
Publisher: IOP Publishing
Date: 08-01-2010
DOI: 10.1088/0957-4484/21/6/065701
Abstract: Wurtzite structured zinc sulfide (ZnS) nanowire arrays are synthesized on silicon (111) wafers by a facile evaporation-condensation approach. These ZnS nanowire arrays possess predominant field emission properties with a low turn-on field of 2.9 V microm(-1), a low threshold field of 4.25 V microm(-1), a high field-enhancement factor (over 2700), and a high stability with a low fluctuation (approximately 0.8%). The improved field emission performance of these ZnS nanowire arrays is attributed to their specific crystallographic feature-array structures with nanotips and high single crystallinity. These results suggest that such ZnS nanowire arrays can be used as building blocks for field emitters.
A Heterostructure Coupling of Exfoliated Ni–Fe Hydroxide Nanosheet and Defective Graphene as a Bifunctional Electrocatalyst for Overall Water Splitting
Publisher: Wiley
Date: 03-03-2017
Abstract: Herein, the authors demonstrate a heterostructured NiFe LDH-NS@DG10 hybrid catalyst by coupling of exfoliated Ni-Fe layered double hydroxide (LDH) nanosheet (NS) and defective graphene (DG). The catalyst has exhibited extremely high electrocatalytic activity for oxygen evolution reaction (OER) in an alkaline solution with an overpotential of 0.21 V at a current density of 10 mA cm
Sustainable seaweed-based one-dimensional (1D) nanofibers as high-performance electrocatalysts for fuel cells
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5TA03199K
Abstract: A high-performance one-dimensional (1D) nanofibrillar N–Co–C oxygen reduction reaction (ORR) catalyst was fabricated via electrospinning using renewable natural alginate and multiwalled carbon nanotubes (MWCNTs) as precursors.
Hydrogen storage properties of MgH2/SWNT composite prepared by ball milling
Publisher: Elsevier BV
Date: 08-2006
Field Emission and Cathodoluminescence of ZnS Hexagonal Pyramids of Zinc Blende Structured Single Crystals
Publisher: Wiley
Date: 02-02-2009
Manipulating solar absorption and electron transport properties of rutile TiO2 photocatalysts via highly n-type F-doping
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C3TA13917D
Hexagonal Sphericon Hematite with High Performance for Water Oxidation.
Publisher: Wiley
Date: 20-10-2017
Abstract: A cost-effective hexagonal sphericon hematite with predominant (110) facets for the oxygen evolution reaction (OER) is demonstrated. Sequential incorporation of near-atomic uniformly distributed Ce species and Ni nanoparticles into selected sites of the hematite induces a complex synergistic integration phenomenon that enhances the overall catalytic OER performance. This cheap hexagonal sphericon hematite (Fe ≈ 98%) only needs a small overpotential (η) of 0.34 V to reach 10 mA cm
Toward Aerogel Electrodes of Superior Rate Performance in Supercapacitors through Engineered Hollow Nanoparticles of NiCo2O4
Publisher: Wiley
Date: 08-11-2017
Hydrogen adsorption on NiNaY composites at room and cryogenic temperatures
Publisher: Elsevier BV
Date: 12-2010
Site preference of Re in NiAl and valence band structure of NiAl containing Re: First-principles study and photoelectron spectrum
Publisher: AIP Publishing
Date: 08-06-2009
DOI: 10.1063/1.3152267
Abstract: The site preference of Re in NiAl was studied using first-principles calculations. The calculation of formation energies of the NiAl alloys indicated the site preference of Re on the Ni sites. The valence band structures of the NiAl alloys were investigated by photoelectron spectroscopy. The valence band spectra of the NiAl with Re shifted away from the Fermi energy level so that the Ni d-band centroid moved to a higher energy by 0.25 eV as Re was added. Such a shift could be attributed to the Ni-Re interaction, which was supported by the photoelectron spectroscopy measurement.
Molecular engineering of Ni–/Co–porphyrin multilayers on reduced graphene oxide sheets as bifunctional catalysts for oxygen evolution and oxygen reduction reactions
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6SC02083F
Abstract: Ni– and Co–porphyrin multilayers on reduced graphene oxide (rGO) sheets are reported as novel bifunctional catalysts for the oxygen evolution reaction (OER) and the oxygen reduction reaction (ORR).
Site preference of ru in NiAl and valence band structure of NiAl containing Ru: First-principles study and photoelectron spectrum
Publisher: Informa UK Limited
Date: 27-01-2010
Investigation into the effect of nucleation parameters on grain formation during solidification using a cellular automaton-finite control volume method
Publisher: Springer Science and Business Media LLC
Date: 09-2008
Abstract: A cellular automation (CA) model has successfully been used to model the development of microstructure of an aluminum alloy during solidification to produce detailed structure maps for the solidified alloys. More recently, the application of CA models to practical castings/solidification conditions has attracted increasing research interest. However, the determination of the calculation parameters of any model associated with nucleation is difficult. Accordingly, this work investigates the detailed effect of the six parameters of nucleation on microstructure formation and morphology as well as the grain size by cellular automaton-finite control volume method (CAFVM). The nucleation parameters can be determined or estimated by comparing the calculated and experimental results, which enables a more practical prediction of the microstructure (morphology and grain size).
Generating Oxygen Vacancies in MnO Hexagonal Sheets for Ultralong Life Lithium Storage with High Capacity
Publisher: American Chemical Society (ACS)
Date: 15-01-2019
Abstract: The polar surface of (001) wurtzite-structured MnO possesses substantial electrostatic instabilities that facilitate a wurtzite to graphene-like sheet transformation during the lithiation/delithiation process when used in battery technologies. This transformation results in cycle instability and loss of cell efficiency. In this work, we synthesized MnO hexagonal sheets (HSs) possessing abundant oxygen vacancy defects (MnO-Vo HSs) by pyrolyzing and reducing MnCO
A novel 3D porous cadmium(II) MOF based on conjugated ligand with potential application for sensing small linear conjugated molecule
Publisher: Elsevier BV
Date: 11-2012
Grafting Cobalt Diselenide on Defective Graphene for Enhanced Oxygen Evolution Reaction
Publisher: Elsevier BV
Date: 09-2018
Chromium oxide catalysts for CO x -free hydrogen generation via catalytic ammonia decomposition
Publisher: Elsevier BV
Date: 05-2009
Effects of carbon nanotubes and metal catalysts on hydrogen storage in magnesium nanocomposites
Publisher: American Scientific Publishers
Date: 02-2006
DOI: 10.1166/JNN.2006.098
Abstract: This paper reports a study on nanostructured magnesium composites with carbon nanotubes (CNTs) and catalytic transition metals with high H2 adsorption capacity and fast adsorption kinetics at reduced hydrogenation temperatures. Nanostructures in such a composite are shown to be responsible for improvements in both adsorption capacity and kinetics. It is found that the carbon nanotubes significantly increase the hydrogen storage capacity, and the catalytic transition metals (Fe and Ti) greatly improve the kinetics. This could be understood from the enhancement of diffusion by CNTs and decrease in energy barrier of hydrogen dissociation at the magnesium surface.
Exfoliation of amorphous phthalocyanine conjugated polymers into ultrathin nanosheets for highly efficient oxygen reduction
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8TA11044A
Abstract: Defects and disorders in the in idual layers of phthalocyanine CPs diminish interlayer π–π stacking interaction, favoring the exfoliation of the CPs into ultrathin nanosheets with a high yield.
A series of temperature-dependent Cd<sup>II</sup>-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C4RA16198J
Abstract: An efficient method for the synthesis of N-rich heterocycles has been systematically explored through solvothermal in situ generation from ligand ( L ) mediated by Cd 2+ . Their in situ formation mechanisms and coordination chemistry are investigated.
Sulfur‐Modified Oxygen Vacancies in Iron–Cobalt Oxide Nanosheets: Enabling Extremely High Activity of the Oxygen Evolution Reaction to Achieve the Industrial Water Splitting Benchmark
Publisher: Wiley
Date: 07-07-2020
Carbide behaviour during high temperature low cycle fatigue in a cobalt-base superalloy
Publisher: Springer Science and Business Media LLC
Date: 1999
Boosting oxygen reduction and hydrogen evolution at the edge sites of a web-like carbon nanotube-graphene hybrid
Publisher: Elsevier BV
Date: 10-2016
Solving complex concentric circular mesostructures by using electron tomography
Publisher: Wiley
Date: 11-08-2008
Dehydrogenation and reaction pathway of Perovskite-Type NH4 Ca(BH4 )3
Publisher: Elsevier BV
Date: 04-2018
Defect‐Induced Pt–Co–Se Coordinated Sites with Highly Asymmetrical Electronic Distribution for Boosting Oxygen‐Involving Electrocatalysis
Publisher: Wiley
Date: 28-11-2018
Abstract: Rational design and synthesis of hetero-coordinated moieties at the atomic scale can significantly raise the performance of the catalyst and obtain mechanistic insight into the oxygen-involving electrocatalysis. Here, a facile plasma-photochemical strategy is applied to construct atomically coordinated Pt-Co-Se moieties in defective CoSe
Yolk@shell anatase TiO2 hierarchical microspheres with exposed {001} facets for high-performance dye sensitized solar cells
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2JM34787C
New electroless plating method for preparation of highly active Co-B catalysts for NaBH4 hydrolysis
Publisher: Elsevier BV
Date: 2014
Defective graphene anchored iron-cobalt nanoparticles for efficient electrocatalytic oxygen reduction
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7CC07501D
Abstract: Defective graphene is a promising material to anchor, disperse and interact with metal nanoparticles for synthesizing highly efficient ORR catalysts.
Visible light active pure rutile TiO2 photoanodes with 100% exposed pyramid-shaped (111) surfaces
Publisher: Springer Science and Business Media LLC
Date: 27-09-2012
Mg-TM (TM: Ti, Nb, V, Co, Mo or Ni) core-shell like nanostructures: Synthesis, hydrogen storage performance and catalytic mechanism
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4TA00221K
Abstract: Magnesium coated by different transition metals (TM: Ti, Nb, V, Co, Mo, or Ni) with a grain size in the nano-scale formed a core (Mg)–shell (TM) like structure which can catalyse dehydrogenation.
Iridium-based electrocatalysts for the acidic oxygen evolution reaction: engineering strategies to enhance the activity and stability
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D2QM01220K
Abstract: This review highlights recent advances in four engineering strategies (doping, morphology, crystal phase, and support) of iridium-based electrocatalysts for acidic OERs.
Comparison of valence-band structures of NiAl alloy containing Cr and Ti: Photoelectron spectrum and first-principles calculations
Publisher: Elsevier BV
Date: 05-2010
Fabrication of highly ordered TiO2 nanorod/nanotube adjacent arrays for photoelectrochemical applications
Publisher: American Chemical Society (ACS)
Date: 12-04-2010
DOI: 10.1021/LA1005314
Abstract: This work reports a facile approach to fabricate a perpendicularly aligned and highly ordered TiO(2) nanorod/nanotube (NR/NT) adjacent film by directly anodizing a modified titanium foil. The titanium foil substrate was modified with a layer of crystalline TiO(2) film via a hydrothermal process in 0.05 M (NH(4))(2)S(2)O(8). The resultant NR/NT architecture consists of a highly ordered nanorod top layer that directly adjoins to a highly ordered nanotube array bottom layer. The thickness of the top nanorod layer was approximately 90 nm with average nanorod diameter of 22 nm after 20 min of anodization. The thickness of the bottom nanotube array layer was found to be ca. 250 nm after 20 min of anodization, having an average outer and inner tubular diameters of 120 and 80 nm, respectively. A broad implication of the method is that a simple modification to the substrate surface can lead to new forms of nanostructures. For as-anodized NR/NT s les, XRD analysis reveals that the nanorods are of anatase TiO(2) crystalline form while the nanotubes are amorphous. Anatase TiO(2) crystalline form of NR/NT film with high crystallinity can be obtained by thermally treating the as-anodized s le at 450 degrees C for 2 h in air. The resultant NR/NT film was used as a photoanode for photoactivity evaluation. Comparing with a nanotube array photoanode prepared by direct anodization of unmodified titanium foil, the NR/NT photoanode exhibits a unique feature of selective photocatalytic oxidation toward organics, which makes it very attractive to photocatalytic degradation of organic pollutants, sensing, and other applications.
Enhanced hydrogen desorption from Mg(BH4 )2 by combining nanoconfinement and a Ni catalyst
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C2TA00899H
Understanding the Activity of Co‐N4−xCx in Atomic Metal Catalysts for Oxygen Reduction Catalysis
Publisher: Wiley
Date: 12-02-2020
Abstract: Atomic metal catalysis (AMC) provides an effective way to enhance activity for the oxygen reduction reaction (ORR). Cobalt anchored on nitrogen-doped carbon materials have been extensively reported. The carbon-hosted Co-N
Catalytic De/Hydrogenation in Mg by Co‐Doped Ni and VOx on Active Carbon: Extremely Fast Kinetics at Low Temperatures and High Hydrogen Capacity
Publisher: Wiley
Date: 11-03-2011
Catalytic decomposition of ammonia over fly ash supported Ru catalysts
Publisher: Elsevier BV
Date: 11-2008
Single Carbon Vacancy Traps Atomic Platinum for Hydrogen Evolution Catalysis
Publisher: American Chemical Society (ACS)
Date: 07-01-2022
DOI: 10.1021/JACS.1C10814
Abstract: The coordinated configuration of atomic platinum (Pt) has always been identified as an active site with high intrinsic activity for hydrogen evolution reaction (HER). Herein, we purposely synthesize single vacancies in a carbon matrix (defective graphene) that can trap atomic Pt to form the Pt-C
A Defect-Driven Metal-free Electrocatalyst for Oxygen Reduction in Acidic Electrolyte
Publisher: Elsevier BV
Date: 10-2018
Hydriding/dehydriding properties of MgH2/5wt.% Ni coated CNFs composite
Publisher: Elsevier BV
Date: 2010
Synthesis and characterization of three novel 3D metal–organic frameworks constructed from semi-rigid V-shaped ligands
Publisher: Elsevier BV
Date: 08-2014
Destabilization of LiBH4 dehydrogenation through H+-H-interactions by cooperating with alkali metal hydroxides
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C3RA45847D
Ammonia Borane Destabilized by Lithium Hydride: An Advanced On-Board Hydrogen Storage Material
Publisher: Wiley
Date: 17-07-2008
Abstract: An advanced hydrogen storage material, with potential for on-board application, is readily prepared by mechanically milling a 1:1 ammonia borane/lithium hydride (AB/LiH) mixture. The material possesses a H capacity of around 10 wt %, higher than the 2015 DOE gravimetric H capacity target, and can rapidly release over 7 wt % pure H2 at around 100 °C.
Origin of reactivity diversity of lattice oxygen in titanates
Publisher: Elsevier BV
Date: 07-2011
Sulfur‐Modified Oxygen Vacancies in Iron–Cobalt Oxide Nanosheets: Enabling Extremely High Activity of the Oxygen Evolution Reaction to Achieve the Industrial Water Splitting Benchmark
Publisher: Wiley
Date: 07-07-2020
Understanding the Activity of Co‐N4−xCx in Atomic Metal Catalysts for Oxygen Reduction Catalysis
Publisher: Wiley
Date: 12-02-2020
Ammonia borane confined by a metal-organic framework for chemical hydrogen storage: Enhancing kinetics and eliminating ammonia
Publisher: American Chemical Society (ACS)
Date: 19-01-2010
DOI: 10.1021/JA9103217
Abstract: A system involving ammonia borane (AB) confined in a metal-organic framework (JUC-32-Y) was synthesized. The hypothesis of nanoconfinement and metallic catalysis was tested and found to be effective for enhancing the hydrogen release kinetics and preventing the formation of ammonia. The AB in JUC-32-Y started to release hydrogen at a temperature as low as 50 degrees C. The peak temperature of decomposition decreased 30 degrees C (shifted to 84 degrees C). AB inside JUC-32-Y can release 8.2 wt % hydrogen in 3 min at 95 degrees C and 8.0 and 10.2 wt % hydrogen within 10 min at 85 degrees C.
Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C3CP54479F
Abstract: The organic-inorganic hybrid perovskite CH3NH3PbI3 is a novel light harvester, which can greatly improve the solar-conversion efficiency of dye-sensitized solar cells. In this article, a first-principle theoretical study is performed using local, semi-local and non-local exchange-correlation approximations to find a suitable method for this material. Our results, using the non-local optB86b + vdWDF functional, excellently agree with the experimental data. Thus, consideration of weak van der Waals interactions is demonstrated to be important for the accurate description of the properties of this type of organic-inorganic hybrid materials. Further analysis of the electronic properties reveals that I 5p electrons can be photo-excited to Pb 6p empty states. The main interaction between the organic cations and the inorganic framework is through the ionic bonding between CH3 and I ions. Furthermore, I atoms in the Pb-I framework are found to be chemically inequivalent because of their different chemical environments.
Edges of FeO/Pt(111) Interface: A First-Principle Theoretical Study
Publisher: American Chemical Society (ACS)
Date: 15-01-2013
DOI: 10.1021/JP310950E
Secondary M6C precipitation in a cobalt-base superalloy
Publisher: Springer Science and Business Media LLC
Date: 1999
Numerical simulation of dendrite growth during solidification
Publisher: Walter de Gruyter GmbH
Date: 2006
Clarifying the Origin of Oxygen Reduction Activity in Heteroatom-Modified Defective Carbon
Publisher: Elsevier BV
Date: 07-2020
Potassium niobate nanolamina: A promising adsorbent for entrapment of radioactive cations from water
Publisher: Springer Science and Business Media LLC
Date: 04-12-2014
DOI: 10.1038/SREP07313
Platinum stabilized by defective activated carbon with excellent oxygen reduction performance in alkaline media
Publisher: Elsevier BV
Date: 06-2017
Defect engineering and characterization of active sites for efficient electrocatalysis
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D0NR08976A
Abstract: This review highlights recent advancements in defect engineering and characterization of both metal-free carbons and transition metal-based electrocatalysts.
On the solute coupling at the moving solid/liquid interface during equiaxed solidification
Publisher: AIP Publishing
Date: 14-08-2006
DOI: 10.1063/1.2336079
Abstract: Integral mass conservation was widely accepted for the solute coupling to solve solute redistribution during equiaxed solidification so far. The present study revealed that the integral form was invalid for moving boundary problems as it could not represent the mass balance at the moving interface. Accordingly, differential mass conservation at the solid/liquid interface was used to solve solute diffusion for spherical geometry. The model was applied for hydrogen diffusion in solidification to validate that the hydrogen enrichment was significant and depended on the growth rate.
Fabrication of mesoporous lignocellulose aerogels from wood via cyclic liquid nitrogen freezing-thawing in ionic liquid solution
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2JM31310C
Mg-Based Nanocomposites with High Capacity and Fast Kinetics for Hydrogen Storage
Publisher: American Chemical Society (ACS)
Date: 26-05-2006
DOI: 10.1021/JP057526W
Abstract: Magnesium and its alloys have shown a great potential in effective hydrogen storage due to their advantages of high volumetric/gravimetric hydrogen storage capacity and low cost. However, the use of these materials in fuel cells for automotive applications at the present time is limited by high hydrogenation temperature and sluggish sorption kinetics. This paper presents the recent results of design and development of magnesium-based nanocomposites demonstrating the catalytic effects of carbon nanotubes and transition metals on hydrogen adsorption in these materials. The results are promising for the application of magnesium materials for hydrogen storage, with significantly reduced absorption temperatures and enhanced ab/desorption kinetics. High level Density Functional Theory calculations support the analysis of the hydrogenation mechanisms by revealing the detailed atomic and molecular interactions that underpin the catalytic roles of incorporated carbon and titanium, providing clear guidance for further design and development of such materials with better hydrogen storage properties.
Phosphate removal from wastewater using red mud
Publisher: Elsevier BV
Date: 10-2008
DOI: 10.1016/J.JHAZMAT.2008.01.061
Abstract: Red mud, a waste residue of alumina refinery, has been used to develop effective adsorbents to remove phosphate from aqueous solution. Acid and acid-thermal treatments were employed to treat the raw red mud. The effects of different treatment methods, pH of solution and operating temperature on adsorption have been examined in batch experiments. It was found that all activated red mud s les show higher surface area and total pore volume as well as higher adsorption capacity for phosphate removal. The red mud with HCl treatment shows the highest adsorption capacity among all the red mud s les, giving adsorption capacity of 0.58 mg P/g at pH 5.5 and 40 degrees C. The adsorption capacity of the red mud adsorbents decreases with increase of pH. At pH 2, the red mud with HCl treatment exhibits adsorption of 0.8 mg P/g while the adsorption can be lowered to 0.05 mg P/g at pH 10. However, the adsorption is improved at higher temperature by increasing 25% from 30 to 40 degrees C. The kinetic studies of phosphate adsorption onto red mud indicate that the adsorption mainly follows the parallel first-order kinetics due to the presence of two acidic phosphorus species, H(2)PO(4)(-) and HPO(4)(2-). An analysis of the adsorption data indicates that the Freundlich isotherm provides a better fitting than the Langmuir model.
Study on diffusion in the multicomponent β-NiAl phase
Publisher: IOP Publishing
Date: 02-2008
Scalable and controllable synthesis of atomic metal electrocatalysts assisted by an egg-box in alginate
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8TA07469K
Abstract: A general, scalable and controllable strategy is developed to synthesize atomic metal (Co, Cu, Ni, etc. ) catalysts assisted by an “egg-box” in alginate.
Carbon scaffold modified by metal (Ni) or non-metal (N) to enhance hydrogen storage of MgH2 through nanoconfinement
Publisher: Elsevier BV
Date: 09-2017
Hydrolysis and regeneration of sodium borohydride (NaBH4 ) – A combination of hydrogen production and storage
Publisher: Elsevier BV
Date: 08-2017
Coordination of Atomic Co–Pt Coupling Species at Carbon Defects as Active Sites for Oxygen Reduction Reaction
Publisher: American Chemical Society (ACS)
Date: 07-08-2018
DOI: 10.1021/JACS.8B04647
Abstract: Platinum (Pt) is the state-of-the-art catalyst for oxygen reduction reaction (ORR), but its high cost and scarcity limit its large-scale use. However, if the usage of Pt reduces to a sufficiently low level, this critical barrier may be overcome. Atomically dispersed metal catalysts with high activity and high atom efficiency have the possibility to achieve this goal. Herein, we report a locally distributed atomic Pt-Co nitrogen-carbon-based catalyst (denoted as A-CoPt-NC) with high activity and robust durability for ORR (267 times higher than commercial Pt/C in mass activity). The A-CoPt-NC shows a high selectivity for the 4e
Twins in Cd1-x Znx S solid solution: Highly efficient photocatalyst for hydrogen generation from water
Publisher: Royal Society of Chemistry (RSC)
Date: 2011
DOI: 10.1039/C0EE00604A
Preparation of Nitrogen-Doped TiO2/Graphene Nanohybrids and Application as Counter Electrode for Dye-Sensitized Solar Cells
Publisher: American Chemical Society (ACS)
Date: 22-01-2014
DOI: 10.1021/AM405231P
Abstract: The preparation of nitrogen-doped TiO2/graphene nanohybrids and their application as counter electrode for dye-sensitized solar cell (DSSC) are presented. These nanohybrids are prepared by self-assembly of pyrene modified H2Ti3O7 nanosheets and graphene in aqueous medium via π-π stacking interactions, followed by thermal calcination at different temperatures in ammonia atmosphere to afford nitrogen-doped TiO2/graphene nanohybrids. H2Ti3O7 nanosheets were synthesized from TiOSO4·xH2O by a hydrothermal reaction at 150 °C for 48 h. The microstructure of the obtained mixed-phase nanohybrids was characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Fourier transforms infrared spectroscopy (FTIR). Moreover, the performances of the as-prepared nanohybrids as counter electrode materials for DSSC was investigated, and the results indicated that the nanohybrids prepared at higher nitridation temperature would lead to higher short-circuit current density than those prepared at lower nitridation temperature, indicating that it can be utilized as a low-cost alternative to Pt for DSSCs and other applications.
Unveiling the dynamic active site of defective carbon-based electrocatalysts for hydrogen peroxide production
Publisher: Springer Science and Business Media LLC
Date: 07-10-2023
Role of lithium vacancies in accelerating the dehydrogenation kinetics on a LiBH4 (010) surface: An ab initio study
Publisher: American Chemical Society (ACS)
Date: 21-07-2007
DOI: 10.1021/JP074096W
Ab initio studies of hydrogen desorption from low index magnesium hydride surface
Publisher: Elsevier BV
Date: 05-2006
Activity Origins in Nanocarbons for the Electrocatalytic Hydrogen Evolution Reaction
Publisher: Wiley
Date: 04-05-2018
Abstract: Sustainable hydrogen production is an essential prerequisite for realizing the future hydrogen economy. The electrocatalytic hydrogen evolution reaction (HER), as the cornerstone of exploring the mechanism of water electrolysis, has attracted extensive interest in the past decades. Carbon-based materials with significant merits such as abundance, low cost, high conductivity, and tunable molecular structures, are considered as promising candidates for replacing the commercial noble metal electrocatalysts. To date, activity origins of these carbon-based electrocatalysts are mainly attributed to the dopants (e.g., N, B, P or S), whereas the contribution of intrinsic/induced carbon defects has recently been a hot research topic. In this Review, besides the development of heteroatoms doping strategies, the latest studies on defective carbon-based materials for HER electrocatalysis are summarized, especially for various approaches to prepare defective carbons and the detailed introduction regarding the defect catalysis mechanism. Finally, an outlook into the development of future defective carbon-based HER electrocatalysts is presented.
Defect-driven oxygen reduction reaction (ORR) of carbon without any element doping
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C5QI00236B
Abstract: A “pure” porous carbon, lacking any elemental doping, exhibits excellent activity of oxygen reduction.
One-step synthesis of nitrogen-doped microporous carbon materials as metal-free electrocatalysts for oxygen reduction reaction
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4TA00846D
Abstract: In this work, a series of microporous nitrogen-doped carbon catalysts are reported through a convenient preparation route, and exhibit excellent performance for oxygen reduction reaction.
Nature of visible-light responsive fluorinated titanium dioxides
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3TA12506H
Defective-Activated-Carbon-Supported Mn–Co Nanoparticles as a Highly Efficient Electrocatalyst for Oxygen Reduction
Publisher: Wiley
Date: 17-08-2016
Abstract: A highly active and durable cathodic oxygen reduction reaction (ORR) catalyst is synthesized by introducing a small amount of Mn-Co spinel into a kind of defective activated-carbon (D-AC) support. It is assumed that the synergetic coupling effects between the unique defects in the D-AC and the loaded Mn-Co spinel facilitate the ORR and enhance its durability.
Carbon nanotubes enhanced hydrogen ab/desorption in Magnesium-based nanocomposites
Publisher: IEEE
Date: 2006
Effect of Mn And Zr on Hydrogen Absorption in Mg-Based Nanocomposites
Publisher: Springer Netherlands
Date: 2008
Synthesis and characterization of chromium oxide nanocrystals via solid thermal decomposition at low temperature
Publisher: Elsevier BV
Date: 07-2008
A Facile Vapor-Phase Hydrothermal Method for Direct Growth of Titanate Nanotubes on a Titanium Substrate via a Distinctive Nanosheet Roll-Up Mechanism
Publisher: American Chemical Society (ACS)
Date: 08-11-2011
DOI: 10.1021/JA207530E
Abstract: We present a facile vapor-phase hydrothermal approach for direct growth of vertically aligned titanate nanotubes on a titanium foil substrate. The resultant nanotubes display external diameters of 50-80 nm and walls with an average thickness of 10 nm that consist of more than 10 titanate layers. This is in strong contrast to the titanate nanotubes obtained from alkaline liquid-phase hydrothermal methods, which are generally smaller than 12 nm in external diameter and have walls consisting of less than five titanate layers. Importantly, the investigation confirmed that under vapor-phase hydrothermal conditions, the nanotubes were formed via a distinctive nanosheet roll-up mechanism that differs remarkably from those of conventional liquid-phase hydrothermal processes. For the first time, a coaxial circular cylinder crystal structure of the resultant nanotubes was confirmed.
System analysis of pulping process coupled with supercritical water gasification of black liquor for combined hydrogen, heat and power production
Publisher: Elsevier BV
Date: 08-2017
Plasma-Triggered Synergy of Exfoliation, Phase Transformation, and Surface Engineering in Cobalt Diselenide for Enhanced Water Oxidation
Publisher: Wiley
Date: 15-11-2018
Abstract: Various strategies, such as increasing active site numbers and structural and surface engineering, have been used to improve the oxygen evolution reaction (OER) performance of transition-metal dichalcogenides. However, it is challenging to combine these strategies in one system to realize the full catalytic potential. Now, an Ar/O
Atomically isolated nickel species anchored on graphitized carbon for efficient hydrogen evolution electrocatalysis
Publisher: Springer Science and Business Media LLC
Date: 10-02-2016
DOI: 10.1038/NCOMMS10667
Abstract: Hydrogen production through electrochemical process is at the heart of key renewable energy technologies including water splitting and hydrogen fuel cells. Despite tremendous efforts, exploring cheap, efficient and durable electrocatalysts for hydrogen evolution still remains as a great challenge. Here we synthesize a nickel–carbon-based catalyst, from carbonization of metal-organic frameworks, to replace currently best-known platinum-based materials for electrocatalytic hydrogen evolution. This nickel-carbon-based catalyst can be activated to obtain isolated nickel atoms on the graphitic carbon support when applying electrochemical potential, exhibiting highly efficient hydrogen evolution performance with high exchange current density of 1.2 mA cm −2 and impressive durability. This work may enable new opportunities for designing and tuning properties of electrocatalysts at atomic scale for large-scale water electrolysis.
Ordered mesoporous carbons enriched with nitrogen: Application to hydrogen storage
Publisher: American Chemical Society (ACS)
Date: 16-04-2010
DOI: 10.1021/JP101119R
Remarkable enhancement in dehydrogenation of MgH<inf>2</inf> by a nano-coating of multi-valence Ti-based catalysts
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3TA01332D
Progress in sodium borohydride as a hydrogen storage material: Development of hydrolysis catalysts and reaction systems
Publisher: Elsevier BV
Date: 05-2011
Nanoparticles enwrapped with nanotubes: A unique architecture of CdS/titanate nanotubes for efficient photocatalytic hydrogen production from water
Publisher: Royal Society of Chemistry (RSC)
Date: 2011
DOI: 10.1039/C0JM03945D
A self-sponsored doping approach for controllable synthesis of S and N co-doped trimodal-porous structured graphitic carbon electrocatalysts
Publisher: Royal Society of Chemistry (RSC)
Date: 19-08-2014
DOI: 10.1039/C4EE01779J
Ultrathin Iron-Cobalt Oxide Nanosheets with Abundant Oxygen Vacancies for the Oxygen Evolution Reaction
Publisher: Wiley
Date: 27-02-2017
Abstract: Electrochemical water splitting is a promising method for storing light/electrical energy in the form of H
Defective Carbons Derived from Macadamia Nut Shell Biomass for Efficient Oxygen Reduction and Supercapacitors
Publisher: Wiley
Date: 22-02-2018
Direct catalytic conversion of glucose and cellulose
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7GC03318D
Abstract: Biomass product 5-hydroxymethylfurfural (5-HMF) can be used to synthesize a broad range of value added compounds currently derived from petroleum.
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