ORCID Profile
0000-0001-7488-6244
Current Organisation
Queensland University of Technology
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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)
Functional Materials | Materials Engineering | Composite and Hybrid Materials | Materials engineering | Synthesis of Materials | Functional materials | Nanomaterials | Medical Devices | Nanotechnology | Sensor Technology (Chemical aspects) | Theory and Design of Materials | Composite and hybrid materials | Nanotechnology not elsewhere classified
ANZSRC Socio-Economic Objective (SEO)
Expanding Knowledge in Engineering | Energy Storage (excl. Hydrogen) | Renewable Energy not elsewhere classified | Solar-Thermal Electric Energy | Diagnostic Methods | Health Status (e.g. Indicators of Well-Being) | Ceramics, Glass and Industrial Mineral Products not elsewhere classified |
Related Links
Publications
Honeycomb‐Inspired Heterogeneous Bimetallic Co–Mo Oxide Nanoarchitectures for High‐Rate Electrochemical Lithium Storage
Publisher: Wiley
Date: 15-03-2019
First-principles investigation on chemical bonding and bulk modulus of the ternary carbide
Publisher:
American Physical Society (APS)
Date:
08-2005
Publisher: American Physical Society (APS)
Date: 08-2005
Phosphorus-Modulated Generation of Defective Molybdenum Sites as Synergistic Active Centers for Durable Oxygen Evolution
Publisher: Wiley
Date: 14-06-2023
Abstract: It is well known that electrocatalytic oxygen evolution reaction (OER) activities primarily depend on the active centers of electrocatalysts. In some oxide electrocatalysts, high‐valence metal sites (e.g., molybdenum oxide) are generally not the real active centers for electrocatalytic reactions, which is largely due to their undesired intermediate adsorption behaviors. As a proof‐of‐concept, molybdenum oxide catalysts are selected as a representative model, in which the intrinsic molybdenum sites are not the favorable active sites. Via phosphorus‐modulated defective engineering, the inactive molybdenum sites can be regenerated as synergistic active centers for promoting OER. By virtue of comprehensive comparison , it is revealed that the OER performance of oxide catalysts is highly associated with the phosphorus sites and the molybdenum/oxygen defects. Specifically, the optimal catalyst delivers an overpotential of 287 mV to achieve the current density of 10 mA cm −2 , accompanied by only 2% performance decay for continuous operation up to 50 h. It is expected that this work sheds light on the enrichment of metal active sites via activating inert metal sites on oxide catalysts for boosting electrocatalytic properties.
Phase engineering of dual active 2D Bi2O3-based nanocatalysts for alkaline hydrogen evolution reaction electrocatalysis
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D1TA09019D
Abstract: In situ fabricated Bi 2 O 3 nanosheets with both α-Bi 2 O 3 and Bi x Ni alloy phases, simultaneously contributing to the water dissociation step and the hydrogen formation step, demonstrate high HER electrocatalytic activity in alkaline media.
Theoretical elastic stiffness, structure stability and thermal conductivity of La2Zr2O7 pyrochlore
Publisher: Elsevier BV
Date: 05-2007
Surface-Dependent Intermediate Adsorption Modulation on Iridium-Modified Black Phosphorus Electrocatalysts for Efficient pH-Universal Water Splitting
Publisher: Wiley
Date: 08-10-2021
Abstract: 2D black phosphorus (BP) is one promising electrocatalyst toward hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) catalysis. The too strong adsorption of oxygen intermediates during OER, while the too weak adsorption of hydrogen intermediate during HER, however, greatly compromise its practical water splitting applications with overpotentials as high as 450 mV for OER and 420 mV for HER to achieve 10 mA cm −2 under alkaline conditions. Herein, by rationally introducing the nanosized iridium (Ir) modifier together with optimized exposing surface toward electrolytes, an efficient Ir‐modified BP electrocatalyst with much favorable adsorption energies toward catalytic intermediates possesses an outstanding pH‐universal water splitting performance, surpassing the nearly all reported BP‐based catalysts and the commercial noble‐metal catalysts. The Ir‐modified BP catalyst with the optimized exposed surfaces only requires an overall cell voltage of 1.54 and 1.57 V to achieve 10 mA cm −2 in acidic and alkaline electrolysers, respectively. This design uncovers the potential applications of 2D BP in practical electrocatalysis fields via decreasing reaction intermediate adsorption energy barriers and promoting the interfacial electron coupling for heterostructured catalysts, and offers new insights into the surface‐dependent activity enhancement mechanism.
Opportunities and Challenges of Black Phosphorus for Electrocatalysis and Rechargeable Batteries
Publisher: Wiley
Date: 03-10-2022
Abstract: As an emerging 2D layered material, black phosphorus (BP) has received intensive attention in recent years, particularly in electrocatalysis and rechargeable batteries. With further structural modifications, BP‐based heterostructured composites have exhibited attractive physical and chemical properties regarding to enhanced conductivity, ion transport, and catalysis activity, endowing them as potential candidates for electrochemical ions storage and electro/chemical catalysis. In this perspective, a brief summary is first given on the recent progress of BP and BP‐derived materials in electrocatalysis, such as hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and nitrogen reduction reaction (NRR), and in rechargeable batteries, such as lithium‐ion batteries (LIBs), sodium‐ion batteries (SIBs), and potassium‐ion batteries (PIBs), followed by a critical review on the current opportunities and challenges. It is expected that this class of emerging materials will bring about new potential solutions to address the current energy crisis and inspire researchers to develop more novel materials toward future multifunctional applications.
Stacking-Dependent Interlayer Magnetic Coupling in 2D CrI3/CrGeTe3 Nanostructures for Spintronics
Publisher: American Chemical Society (ACS)
Date: 11-12-2019
Predicting New Two-Dimensional Pd3(PS4)2 as an Efficient Photocatalyst for Water Splitting
Publisher: American Chemical Society (ACS)
Date: 04-09-2018
New Janus structure photocatalyst having widely tunable electronic and optical properties with strain engineering
Publisher: Elsevier BV
Date: 08-2023
Cobalt oxide-based nanoarchitectures for electrochemical energy applications
Publisher: Elsevier BV
Date: 06-2019
Charging assisted structural phase transitions in monolayer InSe
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7CP04469K
Abstract: Two new phases of InSe with novel electronic properties have been identified by first-principles calculations charge doping and substrates are suggested as feasible methods to stabilize these structures.
First-principles study of oxygen incorporation and migration mechanisms in Ti2AlC
Publisher: Springer Science and Business Media LLC
Date: 10-2009
Abstract: We performed density-functional calculations of oxygen incorporation and diffusion in layered Ti 2 AlC for a range of intrinsic- and impurity-element chemical potentials. In view of the thermal equilibrium coexistence between oxygen-dissolved Ti 2 AlC and the oxide scale, a thermodynamic scheme is presented that allows the comparison of the relative stability of oxygen defects in different exterior environments. The calculations show that the oxygen atom favors substitution on carbon lattice sites (O C ) under oxygen-lean conditions and high temperatures, whereas the occurrence of an oxygen interstitial in the aluminum atomic layer (I O-tri ) becomes more preferential in an oxygen-rich atmosphere and low temperatures. Interstitial oxygen (I O-tri ) diffusion via a metastable interstitial site (I O-oct ) has a comparatively low migration energy. The substitutional oxygen defect (O C ) diffuses by exchanging with neighboring carbon vacancy, which needs a relatively high diffusion barrier.
Charge carrier exchange at chemically modified graphene edges: a density functional theory study
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2JM30387F
Distorted Janus Transition Metal Dichalcogenides: Stable Two-Dimensional Materials with Sizable Band Gap and Ultrahigh Carrier Mobility
Publisher: American Chemical Society (ACS)
Date: 26-07-2018
Atomically dispersed Ni-N-C catalyst derived from NiZn layered double hydroxides for efficient electrochemical CO2 reduction
Publisher: Elsevier BV
Date: 02-2023
Three-Dimensional Fast Na-Ion Transport in Sodium Titanate Nanoarchitectures via Engineering of Oxygen Vacancies and Bismuth Substitution
Publisher: American Chemical Society (ACS)
Date: 06-08-2021
Abstract: Layered sodium titanates (NTO), one of the most promising anode materials for advanced sodium-ion batteries (SIBs), feature high theoretical capacity and no serious safety concerns. The pristine NTO electrode, however, has unfavorable Na
Single, double and triple cobalt atoms confined in 2D regular framework for oxygen electrocatalysis
Publisher: Elsevier BV
Date: 08-2021
Weak Bonds, Strong Effects: Enhancing the Separation Performance of UiO-66 toward Chlorobenzenes via Halogen Bonding
Publisher: American Chemical Society (ACS)
Date: 03-04-2023
Rational design of 2D ferroelectric heterogeneous catalysts for controllable hydrogen evolution reaction
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2TA04464A
Abstract: In this work, the controllable hydrogen evolution reaction is achieved by ferroelectric switching. The finding provides a fundamental understanding of ferroelectric catalysis and a new strategy to design ferroelectric heterostructure catalysts.
Black phosphorus nanosheets promoted 2D-TiO2-2D heterostructured anode for high-performance lithium storage
Publisher: Elsevier BV
Date: 05-2019
Generalized self-assembly of scalable two-dimensional transition metal oxide nanosheets
Publisher: Springer Science and Business Media LLC
Date: 12-05-2014
DOI: 10.1038/NCOMMS4813
Abstract: Two-dimensional (2D) transition metal oxide systems present exotic electronic properties and high specific surface areas, and also demonstrate promising applications ranging from electronics to energy storage. Yet, in contrast to other types of nanostructures, the question as to whether we could assemble 2D nanomaterials with an atomic thickness from molecules in a general way, which may give them some interesting properties such as those of graphene, still remains unresolved. Herein, we report a generalized and fundamental approach to molecular self-assembly synthesis of ultrathin 2D nanosheets of transition metal oxides by rationally employing lamellar reverse micelles. It is worth emphasizing that the synthesized crystallized ultrathin transition metal oxide nanosheets possess confined thickness, high specific surface area and chemically reactive facets, so that they could have promising applications in nanostructured electronics, photonics, sensors, and energy conversion and storage devices.
2D/2D Black Phosphorus/Nickel Hydroxide Heterostructures for Promoting Oxygen Evolution via Electronic Structure Modulation and Surface Reconstruction
Publisher: Wiley
Date: 31-05-2022
Abstract: 2D heterostructures provide another exciting opportunity for extending the application of 2D materials in energy conversion and storage devices, due to their flexibility in electronic structure modulations and surface chemistry regulations. Herein, by coupling liquid‐exfoliated and mildly oxidized black phosphorus nanosheets (BP‐NSs) with wet‐chemically synthesized 2D nickel Ni(OH) 2 nanosheets (NH‐NSs), 2D/2D heterostructured nanosheets (BNHNSs) are rationally constructed with a favorable transition of electron structure and desired intermediate adsorptions for alkaline oxygen evolution reaction (OER) catalysis. When used as an OER catalyst, to reach a current density of 10 mA cm −2 , the overpotential of 2D/2D BNHNSs is only 297 mV, corresponding to a considerable decrease of 22% and 34% compared with the in idual 2D NH‐NSs and 2D BP‐NSs, respectively. The structural tracking at the initial reconstruction stage via time‐dependent Raman spectra confirms that the phosphorus oxidization into the P–OH and the phase transformation into oxyhydroxide (NiOOH) significantly promote the electron transfer and electrocatalytic efficiency and thus endow the 2D/2D BNHNSs with much enhanced OER catalytic activity. This work offers new insights on the electron structure modulation of 2D‐based heterostructures and opens new avenues for regulating the adsorption of emerging phosphorene‐based materials for electrocatalysis.
Two-dimensional metal oxide nanosheets for rechargeable batteries
Publisher: Elsevier BV
Date: 2018
Deliberate Design of TiO 2 Nanostructures towards Superior Photovoltaic Cells
Publisher: Wiley
Date: 06-07-2016
Abstract: TiO2 nanostructures are being sought after as flexibly utilizable building blocks for the fabrication of the mesoporous thin-film photoelectrodes that are the heart of the third-generation photovoltaic devices, such as dye-sensitized solar cells (DSSCs), quantum-dot-sensitized solar cells (QDSSCs), and the recently promoted perovskite-type solar cells. Here, we report deliberate tailoring of TiO2 nanostructures for superior photovoltaic cells. Morphology engineering of TiO2 nanostructures is realized by designing synthetic protocols in which the precursor hydrolysis, crystal growth, and oligomer self-organization are precisely controlled. TiO2 nanostructures in forms varying from isolated nanocubes, nanorods, and cross-linked nanorods to complex hierarchical structures and shape-defined mesoporous micro-/nanostructures were successfully synthesized. The photoanodes made from the shape-defined mesoporous TiO2 microspheres and nanospindles presented superior performances, owing to the well-defined overall shapes and the inner ordered nanochannels, which allow not only a high amount of dye uptake, but also improved visible-light absorption. This study provides a new way to seek an optimal synthetic protocol to meet the required functionality of the nanomaterials.
Trend in crystal structure of layered ternary T-Al-C carbides (T = Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, W, and Ta)
Publisher: Springer Science and Business Media LLC
Date: 10-2007
Abstract: Layered ternary T -Al-C ceramics containing early transition metal Sc, Zr, and Hf, crystallize with the T n Al 3 C n +2 formula, while others containing neighbor elements Ti, V, Cr, Nb, Mo, W, and Ta yield the T n +1 AlC n formula. Ternary T n Al 3 C n +2 ceramics are structurally characterized by NaCl-type T C slabs being separated by Al 4 C 3 -type AlC layers. In the present study, we suggest that the ability of forming the T n Al 3 C n +2 carbide could be traced back to the structure mismatches between the T C, Al 4 C 3 and T n Al 3 C n +2 compounds. Ternary carbides following the T n Al 3 C n +2 formula experience small lattice mismatches and strain energies. Moreover, the discrepancy between crystal structures of T n Al 3 C n +2 and T n +1 AlC n is interpreted by lattice mismatch and the produced strain energy for the ternary T -Al-C ceramics. We also present close relationships between the atomic radii of transition metal and lattice mismatch, as well as the strain energy. The proposed method is not only helpful to explain the trend in crystal structure of T -Al-C based ceramics, but may be also general to predict the crystal structure of layered compounds constructed by alternatively stacked structural units.
Graphene-like holey Co3O4 nanosheets as a highly efficient catalyst for oxygen evolution reaction
Publisher: Elsevier BV
Date: 12-2016
Two-dimensional polarized MoSSe/MoTe2 van der Waals heterostructure
Publisher: Springer Science and Business Media LLC
Date: 06-09-2024
Continually adjustable oriented 1D TiO2 nanostructure arrays with controlled growth of morphology and their application in dye-sensitized solar cells
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2CE00014H
Formation and Migration Energy of Native Defects in Silicon Carbide from First Principles: An Overview
Publisher: Trans Tech Publications, Ltd.
Date: 04-2012
DOI: 10.4028/WWW.SCIENTIFIC.NET/DDF.323-325.11
Abstract: We present here an overview of native point defects calculations in silicon carbide using Density Functional Theory, focusing on defects energetics needed to understand self-diffusion. The goal is to assess the availability of data that are necessary in order to perform kinetic calculations to predict not only diffusion properties but also the evolution of defect populations under or after irradiation. We will discuss the spread of available data, comment on the main defect reactions that should be taken into account, and mention some of the most recent promising developments.
Electrocatalyst nanoarchitectonics with molybdenum-cobalt bimetallic alloy encapsulated in nitrogen-doped carbon for water splitting reaction
Publisher: Elsevier BV
Date: 05-2022
Hybrid Graphene and Graphitic Carbon Nitride Nanocomposite: Gap Opening, Electron–Hole Puddle, Interfacial Charge Transfer, and Enhanced Visible Light Response
Publisher: American Chemical Society (ACS)
Date: 27-02-2012
DOI: 10.1021/JA211637P
Abstract: Opening up a band gap and finding a suitable substrate material are two big challenges for building graphene-based nanodevices. Using state-of-the-art hybrid density functional theory incorporating long-range dispersion corrections, we investigate the interface between optically active graphitic carbon nitride (g-C(3)N(4)) and electronically active graphene. We find an inhomogeneous planar substrate (g-C(3)N(4)) promotes electron-rich and hole-rich regions, i.e., forming a well-defined electron-hole puddle, on the supported graphene layer. The composite displays significant charge transfer from graphene to the g-C(3)N(4) substrate, which alters the electronic properties of both components. In particular, the strong electronic coupling at the graphene/g-C(3)N(4) interface opens a 70 meV gap in g-C(3)N(4)-supported graphene, a feature that can potentially allow overcoming the graphene's band gap hurdle in constructing field effect transistors. Additionally, the 2-D planar structure of g-C(3)N(4) is free of dangling bonds, providing an ideal substrate for graphene to sit on. Furthermore, when compared to a pure g-C(3)N(4) monolayer, the hybrid graphene/g-C(3)N(4) complex displays an enhanced optical absorption in the visible region, a promising feature for novel photovoltaic and photocatalytic applications.
Two-dimensional ferroelectric topological insulators in functionalized atomically thin bismuth layers
Publisher: American Physical Society (APS)
Date: 20-02-2018
Volcano relationships and a new activity descriptor of 2D transition metal–Fe layered double hydroxides for efficient oxygen evolution reaction
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D2MH01217K
Abstract: In two-dimensional (2D) Fe-doped MFe-LDHs, volcano-shaped relationships between the catalytic activity descriptors and the Fe contents are identified, and a new activity descriptor, the intermediate adsorption capacitance (CPE ad ), is proposed.
Multiferroic decorated Fe2O3 monolayer predicted from first principles
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0NR03391J
Abstract: Insertion of Li can covert Fe 2 O 3 layer as a multiferroics due to the Jahn–Teller distortion and d orbital splitting, which is promising for advanced device applications.
Conversion of Catalytically Inert 2D Bismuth Oxide Nanosheets for Effective Electrochemical Hydrogen Evolution Reaction Catalysis via Oxygen Vacancy Concentration Modulation
Publisher: Springer Science and Business Media LLC
Date: 04-2022
DOI: 10.1007/S40820-022-00832-6
Abstract: Oxygen vacancies ( V o ) in electrocatalysts are closely correlated with the hydrogen evolution reaction (HER) activity. The role of vacancy defects and the effect of their concentration, however, yet remains unclear. Herein, Bi 2 O 3 , an unfavorable electrocatalyst for the HER due to a less than ideal hydrogen adsorption Gibbs free energy (Δ G H* ), is utilized as a perfect model to explore the function of V o on HER performance. Through a facile plasma irradiation strategy, Bi 2 O 3 nanosheets with different V o concentrations are fabricated to evaluate the influence of defects on the HER process. Unexpectedly, while the generated oxygen vacancies contribute to the enhanced HER performance, higher V o concentrations beyond a saturation value result in a significant drop in HER activity. By tunning the V o concentration in the Bi 2 O 3 nanosheets via adjusting the treatment time, the Bi 2 O 3 catalyst with an optimized oxygen vacancy concentration and detectable charge carrier concentration of 1.52 × 10 24 cm −3 demonstrates enhanced HER performance with an overpotential of 174.2 mV to reach 10 mA cm −2 , a Tafel slope of 80 mV dec −1 , and an exchange current density of 316 mA cm −2 in an alkaline solution, which approaches the top-tier activity among Bi-based HER electrocatalysts. Density-functional theory calculations confirm the preferred adsorption of H* onto Bi 2 O 3 as a function of oxygen chemical potential (∆ μ O ) and oxygen partial potential ( P O2 ) and reveal that high V o concentrations result in excessive stability of adsorbed hydrogen and hence the inferior HER activity. This study reveals the oxygen vacancy concentration-HER catalytic activity relationship and provides insights into activating catalytically inert materials into highly efficient electrocatalysts.
Boron/Nitrogen-Induced Surface Environment Modulation for Favorable Phase and Valence toward Efficient Oxygen Evolution
Publisher: American Chemical Society (ACS)
Date: 11-08-2023
Crystal Channel Engineering for Rapid Ion Transport: From Nature to Batteries
Publisher: Wiley
Date: 23-12-2021
Abstract: Ion transport behaviours through cell membranes are commonly identified in biological systems, which are crucial for sustaining life for organisms. Similarly, ion transport is significant for electrochemical ion storage in rechargeable batteries, which has attracted much attention in recent years. Rapid ion transport can be well achieved by crystal channels engineering, such as creating pores or tailoring interlayer spacing down to the nanometre or even sub‐nanometre scale. Furthermore, some functional channels, such as ion selective channels and stimulus‐responsive channels, are developed for smart ion storage applications. In this review, the typical ion transport phenomena in the biological systems, including ion channels and pumps, are first introduced, and then ion transport mechanisms in solid and liquid crystals are comprehensively reviewed, particularly for the widely studied porous inorganic/organic hybrid crystals and ultrathin inorganic materials. Subsequently, recent progress on the ion transport properties in electrodes and electrolytes is reviewed for rechargeable batteries. Finally, current challenges in the ion transport behaviours in rechargeable batteries are analysed and some potential research approaches, such as bioinspired ultrafast ion transport structures and membranes, are proposed for future studies. It is expected that this review can give a comprehensive understanding on the ion transport mechanisms within crystals and provide some novel design concepts on promoting electrochemical ion storage capability in rechargeable batteries.
Probing Interface Manipulation of Metal‐Graphene Composites via Doping and Vacancy Engineering towards Excellent Mechanical Strengths
Publisher: Wiley
Date: 02-01-2020
Triphenylphosphine-Assisted Exsolution Engineering on Ruddlesden–Popper Perovskites for Promoting Oxygen Evolution
Publisher: Wiley
Date: 04-09-2023
DOI: 10.1002/EEM2.12668
Hydrogen Spillover Intensified by Pt Sites on Single-Crystalline MoO3 Interconnected Branches for Hydrogen Evolution
Publisher: American Chemical Society (ACS)
Date: 25-08-2023
Heteroatom‐Doping of Non‐Noble Metal‐Based Catalysts for Electrocatalytic Hydrogen Evolution: An Electronic Structure Tuning Strategy
Publisher: Wiley
Date: 25-01-2021
Two-Dimensional Bismuth Oxide Heterostructured Nanosheets for Lithium- and Sodium-Ion Storages
Publisher: American Chemical Society (ACS)
Date: 12-07-2019
Abstract: Two-dimensional (2D) bismuth oxide (Bi
Strongly interfacial-coupled 2D-2D TiO2 /g-C3 N4 heterostructure for enhanced visible-light induced synthesis and conversion
Publisher: Elsevier BV
Date: 07-2020
First principles defect energetics for simulations of silicon carbide under irradiation: Kinetic mechanisms of silicon di-interstitials
Publisher: Elsevier BV
Date: 05-2014
Publisher Correction: Mesoporous multimetallic nanospheres with exposed highly entropic alloy sites
Publisher: Springer Science and Business Media LLC
Date: 11-08-2023
Fly-Eye Inspired Superhydrophobic Anti-Fogging Inorganic Nanostructures
Publisher: Wiley
Date: 22-04-2014
Abstract: Fly-eye bio-inspired inorganic nanostructures are synthesized via a two-step self-assembly approach, which have low contact angle hysteresis and excellent anti-fogging properties, and are promising candidates for anti-freezing/fogging materials to be applied in extreme and hazardous environments.
Ab initio modeling of the formation and migration of monovacancies in Ti2AlC
Publisher: Elsevier BV
Date: 10-2008
Phase engineering activation of low-cost iron-containing sulfide minerals for advanced electrocatalysis
Publisher: Elsevier BV
Date: 06-2022
Predicting Novel 2D MB2 (M = Ti, Hf, V, Nb, Ta) Monolayers with Ultrafast Dirac Transport Channel and Electron-Orbital Controlled Negative Poisson’s Ratio
Publisher: American Chemical Society (ACS)
Date: 03-05-2019
DOI: 10.1021/ACS.JPCLETT.9B00762
Abstract: Three-dimensional diborides MB
Graphene/Cu composites: Electronic and mechanical properties by first-principles calculation
Publisher: Elsevier BV
Date: 06-2019
Pressure-induced polymorphism in Al3BC3: A first-principles study
Publisher: Elsevier BV
Date: 08-2006
Basal-plane slip systems and polymorphic phase transformation in Ti2AlC and Ti2AlN: a first-principles study
Publisher: IOP Publishing
Date: 23-06-2006
Strategies for designing metal oxide nanostructures
Publisher: Springer Science and Business Media LLC
Date: 07-12-2016
Predicting ultrafast Dirac transport channel at the one-dimensional interface of the two-dimensional coplanar
ZnO
Publisher:
American Physical Society (APS)
Date:
14-01-2019
Publisher: American Physical Society (APS)
Date: 14-01-2019
Position preference and diffusion path of an oxygen ion in apatite-type lanthanum silicate La9.33Si6O26: a density functional study
Publisher: Royal Society of Chemistry (RSC)
Date: 2011
DOI: 10.1039/C0JM02473B
Bioinspired Materials for Energy Storage
Publisher: Wiley
Date: 26-12-2021
Abstract: Nature offers a variety of interesting structures and intriguing functions for researchers to be learnt for advanced materials innovations. Recently, bioinspired materials have received intensive attention in energy storage applications. Inspired by various natural species, many new configurations and components of energy storage devices, such as rechargeable batteries and supercapacitors, have been designed and innovated. The bioinspired designs on energy devices, such as electrodes and electrolytes, have brought about excellent physical, chemical, and mechanical properties compared to the counterparts at their conventional forms. In this review, the design principles for bioinspired materials ranging from structures, synthesis, and functionalization to multi‐scale ordering and device integration are first discussed, and then a brief summary is given on the recent progress on bioinspired materials for energy storage systems, particularly the widely studied rechargeable batteries and supercapacitors. Finally, a critical review on the current challenges and brief perspective on the future research focuses are proposed. It is expected that this review can offer some insights into the smart energy storage system design by learning from nature.
Heterostructure Engineering of 2D Superlattice Materials for Electrocatalysis
Publisher: Wiley
Date: 20-10-2022
Abstract: Exploring low‐cost and high‐efficient electrocatalyst is an exigent task in developing novel sustainable energy conversion systems, such as fuel cells and electrocatalytic fuel generations. 2D materials, specifically 2D superlattice materials focused here, featured highly accessible active areas, high density of active sites, and high compatibility with property‐complementary materials to form heterostructures with desired synergetic effects, have demonstrated to be promising electrocatalysts for boosting the performance of sustainable energy conversion and storage devices. Nevertheless, the reaction kinetics, and in particular, the functional mechanisms of the 2D superlattice‐based catalysts yet remain ambiguous. In this review, based on the recent progress of 2D superlattice materials in electrocatalysis applications, the rational design and fabrication of 2D superlattices are first summarized and the application of 2D superlattices in electrocatalysis is then specifically discussed. Finally, perspectives on the current challenges and the strategies for the future design of 2D superlattice materials are outlined. This review attempts to establish an intrinsic correlation between the 2D superlattice heterostructures and the catalytic properties, so as to provide some insights into developing high‐performance electrocatalysts for next‐generation sustainable energy conversion and storage.
Theoretically designed metal-welded carbon nanotubes: Extraordinary electronic properties and promoted catalytic performance
Publisher: Elsevier BV
Date: 02-2017
How to achieve maximum charge carrier loading on heteroatom-substituted graphene nanoribbon edges: density functional theory study
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2JM31445B
The oxygen migration in the apatite-type lanthanum silicate with the cation substitution
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3CP52245H
Abstract: A theoretical model is proposed to determine the effects of Si substitution with Al on the oxygen diffusion in apatite-type lanthanum silicates based on density-functional theory (DFT) calculations for La10(SiO4)4(AlO4)2O2. Substitution changes the stable configuration for excess oxygen from the split interstitial to a new cluster form with the original cluster. Al doping completely changes the migration mechanism from the interstitialcy one, which was proposed for the La9.33(SiO4)6O2 starting material, to a mechanism which contains an interstitial process. Nevertheless, the migration barrier is calculated to be 0.81 eV, which indicates small changes in oxygen conduction and is consistent with the observations. The present study indicates that the cation substitution on silicon site alone does not promise the improvement of the oxide ion conduction in the lanthanum silicate.
Toward Promising Cathode Catalysts for Nonlithium Metal–Oxygen Batteries
Publisher: Wiley
Date: 22-11-2019
Electronic Coupling and Catalytic Effect on H-2 Evolution of MoS2/Graphene Nanocatalyst
Publisher: Springer Science and Business Media LLC
Date: 09-2014
DOI: 10.1038/SREP06256
Abstract: Inorganic nano-graphene hybrid materials that are strongly coupled via chemical bonding usually present superior electrochemical performance. However, how the chemical bond forms and the synergistic catalytic mechanism remain fundamental questions. In this study, the chemical bonding of the MoS 2 nanolayer supported on vacancy mediated graphene and the hydrogen evolution reaction of this nanocatalyst system were investigated. An obvious reduction of the metallic state of the MoS 2 nanolayer is noticed as electrons are transferred to form a strong contact with the reduced graphene support. The missing metallic state associated with the unsaturated atoms at the peripheral sites in turn modifies the hydrogen evolution activity. The easiest evolution path is from the Mo edge sites, with the presence of the graphene resulting in a decrease in the energy barrier from 0.17 to 0.11 eV. Evolution of H 2 from the S edge becomes more difficult due to an increase in the energy barrier from 0.43 to 0.84 eV. The clarification of the chemical bonding and catalytic mechanisms for hydrogen evolution using this strongly coupled MoS 2 /graphene nanocatalyst provide a valuable source of reference and motivation for further investigation for improved hydrogen evolution using chemically active nanocoupled systems.
First Exploration on Electrochemical Activation of Low‐Cost Albite Mineral for Boosting Lithium Storage Capability
Publisher: Wiley
Date: 04-05-2020
First-principles prediction of low shear-strain resistance of Al3BC3: A metal borocarbide containing short linear BC2 units
Publisher: AIP Publishing
Date: 10-07-2006
DOI: 10.1063/1.2220549
Abstract: The elastic stiffness and shear deformation mode of Al3BC3, a metal borocarbide containing linear C–B–C units, are studied based on the first-principles total energy calculations. The predominant effect of C–B–C units on mechanical properties is reported by leading to low shear modulus. The low shear-strain resistance originates from the deformation mode as follows: the rigid linear C–B–C units tilt with respect to the c direction easily, and the corner-sharing Al5C bipyramid slabs simultaneously slide along the basal plane with low resistance. The proposed deformation mode may be universal for the ternary metal borocarbides family containing short linear C–B–C units.
Stacking-Dependent Interlayer Ferroelectric Coupling and Moiré Domains in a Twisted AgBiP2Se6 Bilayer
Publisher: American Chemical Society (ACS)
Date: 23-02-2022
DOI: 10.1021/ACS.JPCLETT.2C00177
Abstract: Rotation/twisting of bilayers could induce unprecedented new physics due to stacking-dependent electronic properties and interlayer coupling, such as the superconductivity in twisted bilayer graphene, which can find applications in electronics. However, deep understanding at the atomic/electronic levels is limited by the capability of accurate theoretical simulations. Here, from first-principles simulations, we found that the AgBiP
Electronic Asymmetry Engineering of Fe–N–C Electrocatalyst via Adjacent Carbon Vacancy for Boosting Oxygen Reduction Reaction
Publisher: Wiley
Date: 26-09-2023
Chemically modified ribbon edge stimulated H-2 dissociation: a first-principles computational study
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3CP50654A
Abstract: First-principles computational studies indicate that (B, N, or O)-doped graphene ribbon edges can substantially reduce the energy barrier for H2 dissociative adsorption. The low barrier is competitive with many widely used metal or metal oxide catalysts. This suggests that suitably functionalized graphene architectures are promising metal-free alternatives for low-cost catalytic processes.
Response to “Comment on ‘It is not appropriate to “deform” dose along with deformable image registration in adaptive radiotherapy’” [Med. Phys. 39, 6531–6533 (2012)]
Publisher: Wiley
Date: 2013
DOI: 10.1118/1.4771963
Boosting Sodium Storage of Double‐Shell Sodium Titanate Microspheres Constructed from 2D Ultrathin Nanosheets via Sulfur Doping
Publisher: Wiley
Date: 10-10-2018
Abstract: Sodium-ion batteries (SIBs) have drawn remarkable attention due to their low cost and the practically inexhaustible sodium sources. The major obstacle for the practical application of SIBs is the absence of suitable negative electrode materials with long cycling stability and high rate performance. Here, sulfur-doped double-shell sodium titanate (Na
Strategies for improving the lithium-storage performance of 2D nanomaterials
Publisher: Oxford University Press (OUP)
Date: 21-07-2017
DOI: 10.1093/NSR/NWX077
Abstract: 2D nanomaterials, including graphene, transition metal oxide (TMO) nanosheets, transition metal dichalcogenide (TMD) nanosheets, etc., have offered an appealing and unprecedented opportunity for the development of high-performance electrode materials for lithium-ion batteries (LIBs). Although significant progress has been made on 2D nanomaterials for LIB applications in the recent years, some major challenges still exist for the direct use of these sheet-like nanomaterials, such as their serious self-agglomerating tendency during electrode fabrication and low conductivity as well as the large volume changes over repeated charging–discharging cycles for most TMOs/TMDs, which have resulted in large irreversible capacity, low initial Coulombic efficiency and fast capacity fading. To address these issues, considerable progress has been made in the exploitation of 2D nanosheets for enhanced lithium storage. In this review, we intend to summarize the recent progress on the strategies for enhancing the lithium-storage performance of 2D nanomaterials, including hybridization with conductive materials, surface/edge functionalization and structural optimization. These strategies for manipulating the structures and properties of 2D nanomaterials are expected to meet the grand challenges for advanced nanomaterials in clean energy applications and thus provide access to exciting materials for achieving high-performance next-generation energy-storage devices.
Manipulating the Architecture of Atomically Thin Transition Metal (Hydr)oxides for Enhanced Oxygen Evolution Catalysis
Publisher: American Chemical Society (ACS)
Date: 25-01-2018
Abstract: Graphene-like nanomaterials have received tremendous research interest due to their atomic thickness and fascinating properties. Previous studies mainly focus on the modulation of their electronic structures, which undoubtedly optimizes the electronic properties, but is not the only determinant of performance in practical applications. Herein, we propose a generalized strategy to incrementally manipulate the architectures of several atomically thin transition metal (hydr)oxides, and study their effects on catalytic water oxidation. The results demonstrate the obvious superiority of a wrinkled nanosheet architecture in both catalytic activity and durability. For instance, wrinkled Ni(OH)
MAX-phase Derived Tin Diselenide for 2D/2D Heterostructures with Ultralow Surface/Interface Transport Barriers toward Li-/Na-ions Storage
Publisher: Wiley
Date: 08-07-2022
Abstract: 2D tin diselenide and its derived 2D heterostructures have delivered promising potentials in various applications ranging from electronics to energy storage devices. The major challenges associated with large‐scale fabrication of SnSe 2 crystals, however, have hindered its engineering applications. Herein, a tin‐extraction synthetic method is proposed for producing large‐size SnSe 2 bulk crystals. In a typical synthesis, a Sn‐containing MAX phase (V 2 SnC) and a Se source are heat‐treated under a reducing atmosphere, by which Sn is extracted from the V 2 SnC phase as a rectified Sn source to form SnSe 2 crystals in the cold zone. After the following liquid exfoliation, the obtained 2D SnSe 2 nanosheets have a lateral size of a few centimeters and an atomic thickness. Furthermore, by coupling with 2D graphene to form 2D/2D SnSe 2 /graphene heterostructured electrodes, as validated by theoretical calculation and experimental studies, the superior Li‐/Na‐ion storage performance with ultralow surface/interface ion transport barriers are achieved for rechargeable Li‐/Na‐ion batteries. This innovative synthetic strategy opens a new avenue for the large‐scale synthesis of selenides and offers more options into the practical application of emerging 2D/2D heterostructure for electrochemical energy storage.
Atomically thin non-layered nanomaterials for energy storage and conversion
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7CS00418D
Abstract: The research progress of atomically thin non-layered nanomaterials on energy storage and conversion applications is reviewed in this work.
A first-principles investigation of the phase stability of Ti2AlC with Al vacancies
Publisher: Elsevier BV
Date: 02-2008
Mesoporous multimetallic nanospheres with exposed highly entropic alloy sites
Publisher: Springer Science and Business Media LLC
Date: 13-07-2023
DOI: 10.1038/S41467-023-39157-2
Abstract: Multimetallic alloys (MMAs) with various compositions enrich the materials library with increasing ersity and have received much attention in catalysis applications. However, precisely shaping MMAs in mesoporous nanostructures and mapping the distributions of multiple elements remain big challenge due to the different reduction kinetics of various metal precursors and the complexity of crystal growth. Here we design a one-pot wet-chemical reduction approach to synthesize core–shell motif PtPdRhRuCu mesoporous nanospheres (PtPdRhRuCu MMNs) using a diblock copolymer as the soft template. The PtPdRhRuCu MMNs feature adjustable compositions and exposed porous structures rich in highly entropic alloy sites. The formation processes of the mesoporous structures and the reduction and growth kinetics of different metal precursors of PtPdRhRuCu MMNs are revealed. The PtPdRhRuCu MMNs exhibit robust electrocatalytic hydrogen evolution reaction (HER) activities and low overpotentials of 10, 13, and 28 mV at a current density of 10 mA cm −2 in alkaline (1.0 M KOH), acidic (0.5 M H 2 SO 4 ), and neutral (1.0 M phosphate buffer solution (PBS)) electrolytes, respectively. The accelerated kinetics of the HER in PtPdRhRuCu MMNs are derived from multiple compositions with synergistic interactions among various metal sites and mesoporous structures with excellent mass/electron transportation characteristics.
Two-Dimensional Geometry-Dependent Interfaces for Enhanced Water Splitting Kinetics
Publisher: American Chemical Society (ACS)
Date: 20-07-2023
Stability of Neutral Silicon Interstitials in 3C- and 4H-SiC: A First-Principles Study
Publisher: Trans Tech Publications, Ltd.
Date: 03-2009
DOI: 10.4028/WWW.SCIENTIFIC.NET/DDF.283-286.74
Abstract: The structural stability and properties of single silicon interstitials in their neutral state are investigated via ab initio methods in 3C- and 4H-SiC. By carefully checking the convergence with Brillouin Zone (BZ) s ling and supercell size we show that the split interstitial along direction and tetrahedrally coordinated structure have similar formation energies in the cubic polytype. We discuss possible artifacts coming from the well known Density Functional Theory (DFT) underestimation of the band gap, which is particularly relevant for 3C-SiC. For 4H-SiC, the most energetically favorable silicon interstitial is found to be the split interstitial configuration ISisp but situated in the hexagonal layer. The defect formation energies in 4H-SiC are in general larger than those in 3C-SiC, implying that the insertion of silicon interstitial introduces a large lattice distortion to the local coordination environments and affect even the second- or third-nearest neighbors. We also present an extensive comparison between well converged plane waves calculations and SIESTA [1,2] calculations based on localised orbitals basis sets.
Maximizing ionic transport of Li1+xAlxTi2-xP3O12 electrolytes for all-solid-state lithium-ion storage: A theoretical study
Publisher: Elsevier BV
Date: 05-2021
Hierarchical molybdenum phosphide coupled with carbon as a whole pH-range electrocatalyst for hydrogen evolution reaction
Publisher: Elsevier BV
Date: 2020
Chemical bonding and mechanical properties of M2AC (M = Ti, V, Cr, A = Al, Si, P, S) ceramics from first-principles investigations
Publisher: Springer Science and Business Media LLC
Date: 02-2009
Abstract: MAX-phase carbides ( M is an early transition metal, A is an A-group element) exhibit an interesting bonding characteristic of alternative stacking of strong M –C bonds and relatively weak M – A bonds in one direction. In the present first-principles total energy calculations, we establish the relationship between mechanical properties and electronic structure for ternary M 2 A C ( M = Ti, V, Cr, A = Al, Si, P, S) carbides. By systematically tuning elements on the M and A sites, pronounced enhancements of bulk modulus, elastic stiffness, and ideal shear strength are achieved in V-containing V 2 A C ( A = Al, Si, P, and S) carbides. It is suggested that tailoring on the A site is more efficient than on the M site in strengthening the mechanical properties of studied serial carbides. The results highlight a general trend for tailor-made mechanical properties of ternary M 2 A C carbides by control of chemical bonding.
Single-crystalline ultrathin 2D TiO2 nanosheets: A bridge towards superior photovoltaic devices
Publisher: Elsevier BV
Date: 03-2017
Metal-ion bridged high conductive RGO-M-MoS2 (M = Fe3+, Co2+, Ni2+, Cu2+ and Zn2+) composite electrocatalysts for photo-assisted hydrogen evolution
Publisher: Elsevier BV
Date: 06-2019
Bifunctional water splitting enhancement by manipulating Mo-H bonding energy of transition Metal-Mo2C heterostructure catalysts
Publisher: Elsevier BV
Date: 03-2022
First principles study of trirutile magnesium bismuth oxide: Ideal bandgap for photovoltaics, strain-mediated band-inversion and semiconductor-to-semimetal transition
Publisher: Elsevier BV
Date: 06-2018
Two‐Dimensional Metal Oxide Nanomaterials for Next‐Generation Rechargeable Batteries
Publisher: Wiley
Date: 10-04-2017
Abstract: The exponential increase in research focused on two-dimensional (2D) metal oxides has offered an unprecedented opportunity for their use in energy conversion and storage devices, especially for promising next-generation rechargeable batteries, such as lithium-ion batteries (LIBs) and sodium-ion batteries (NIBs), as well as some post-lithium batteries, including lithium-sulfur batteries, lithium-air batteries, etc. The introduction of well-designed 2D metal oxide nanomaterials into next-generation rechargeable batteries has significantly enhanced the performance of these energy-storage devices by providing higher chemically active interfaces, shortened ion-diffusion lengths, and improved in-plane carrier-/charge-transport kinetics, which have greatly promoted the development of nanotechnology and the practical application of rechargeable batteries. Here, the recent progress in the application of 2D metal oxide nanomaterials in a series of rechargeable LIBs, NIBs, and other post lithium-ion batteries is reviewed relatively comprehensively. Current opportunities and future challenges for the application of 2D nanomaterials in energy-storage devices to achieve high energy density, high power density, stable cyclability, etc. are summarized and outlined. It is believed that the integration of 2D metal oxide nanomaterials in these clean energy devices offers great opportunities to address challenges driven by increasing global energy demands.
Defect Sites-Rich Porous Carbon with Pseudocapacitive Behaviors as an Ultrafast and Long-Term Cycling Anode for Sodium-Ion Batteries.
Publisher: American Chemical Society (ACS)
Date: 23-02-2018
Abstract: Room-temperature sodium-ion batteries have been regarded as promising candidates for grid-scale energy storage due to their low cost and the wide distribution of sodium sources. The main scientific challenge for their practical application is to develop suitable anodes with long-term cycling stability and high rate capacity. Here, novel hierarchical three-dimensional porous carbon materials are synthesized through an in situ template carbonization process. Electrochemical examination demonstrates that carbonization temperature is a key factor that affects Na
First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC
Publisher: AIP Publishing
Date: 29-12-2008
DOI: 10.1063/1.3058718
Abstract: We use first-principles calculations to study the energetics of intrinsic defects in Ti2AlC and the effect of N or O impurity atoms on the generation of Al vacancies. The insertion of impurity atoms lowers the vacancy formation energy of its neighboring Al. The formation of Al vacancies is related to the experimental observations of growth of AlN or Al2O3 nanowires and nanofibers on the surface of Ti2AlC. Since the growth of these nanostructures is controlled by the generation and migration of intrinsic defects, we propose that a tunable method for synthesis of such nanostructures is possible by controlling impurities.
Multiferroic and Ferroic Topological Order in Ligand-Functionalized Germanene and Arsenene
Publisher: American Physical Society (APS)
Date: 28-08-2018
Stoichiometric Defects in Silicon Carbide
Publisher: American Chemical Society (ACS)
Date: 06-12-2010
DOI: 10.1021/JP107372W
Synergy between copper and iron sites inside carbon nanofibers for superior electrocatalytic denitrification
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1NR01489G
Abstract: Bimetal Cu/Fe nanoparticles encased in N-doped carbon nanofibers achieved the high-efficiency reduction of nitrate, as well as a nitrate conversion rate of 76%, nitrate removal capacity of 5686 mg N g −1 Cu/Fe and nitrogen selectivity of 94% for 24 h.
Synergistically Enhanced Interfacial Interaction to Polysulfide via N,O Dual-Doped Highly Porous Carbon Microrods for Advanced Lithium–Sulfur Batteries
Publisher: American Chemical Society (ACS)
Date: 04-04-2018
Abstract: Lithium-sulfur (Li-S) batteries have received tremendous attention because of their extremely high theoretical capacity (1672 mA h g
Correction to Manipulating the Architecture of Atomically Thin Transition Metal (Hydr)oxides for Enhanced Oxygen Evolution Catalysis
Publisher: American Chemical Society (ACS)
Date: 24-07-2018
Beyond Seashells: Bioinspired 2D Photonic and Photoelectronic Devices
Publisher: Wiley
Date: 22-05-2201
Robust superhydrophobicity of hierarchical ZnO hollow microspheres fabricated by two-step self-assembly
Publisher: Springer Science and Business Media LLC
Date: 31-07-2013
Two-dimensional GeP3 as a high capacity electrode material for Li-ion batteries
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7CP04758D
Abstract: Monolayer GeP 3 is predicted to be an ideal anode material for lithium battery with ultrahigh-capacity, low diffuse barrier and low average open-circuit voltage.
Metal exsolution engineering on perovskites for electrocatalysis: a perspective
Publisher: Elsevier BV
Date: 2023
First-principles prediction of the mechanical properties and electronic structure of ternary aluminum carbide
Publisher:
American Physical Society (APS)
Date:
12-04-2006
Publisher: American Physical Society (APS)
Date: 12-04-2006
H2S Sensing and Splitting on Atom‐Functionalized Carbon Nanotubes: A Theoretical Study
Publisher: Wiley
Date: 26-02-2018
Fish-scale bio-inspired multifunctional ZnO nanostructures
Publisher: Springer Science and Business Media LLC
Date: 12-2015
DOI: 10.1038/AM.2015.133
Bioinspired Robust Mechanical Properties for Advanced Materials
Publisher: Wiley
Date: 06-2022
Abstract: Nature is a substantial repository for various kinds of aquatic, terrestrial, and wind‐borne plants and animals adapting extensively to sustain life on earth's different environmental conditions. The organisms or structures of these natural creatures possess extraordinary properties or functionalities through well‐organizing usually weak biopolymers and bioinorganic structures, which provide good ex les to emulate their mechanical and structural characteristics in materials innovations and discoveries. This review collectively investigates the studies of the structures and mechanical properties of some representative fauna and flora with robust mechanical properties and the corresponding bioinspired materials with mimicking structures and mechanical properties. By learning from the natural structures with robust mechanical properties, bioinspired materials and composites with superior mechanical performance to the constituent materials have been designed and fabricated. Via this study, there is hope to draw some principles for designing innovative materials with extraordinary properties from existing common materials by learning from nature. It is expected that the understanding of the extraordinary natural mechanical properties and the robust bioinspired materials can provide some insights into the design of novel materials and composites.
Temperature-regulated formation of hierarchical pores and defective sites in MIL-121 for enhanced adsorption of cationic and anionic dyes
Publisher: Elsevier BV
Date: 06-2023
Bamboo‐Membrane Inspired Multilevel Ultrafast Interlayer Ion Transport for Superior Volumetric Energy Storage
Publisher: Wiley
Date: 24-05-2021
Abstract: Interlayer transport of charges and carriers of 2D nanomaterials is a critical parameter that governs the material and device performance in energy storage applications. Inspired by multilevel natural bamboo‐membrane with ultrafast water and electrolyte transport properties to support its super‐rapid growth rate, 2D–2D multilevel heterostructured graphene‐based membranes with tailored gradient interlayer channels are rationally designed for achieving ultrafast interlayer ion transport. The bioinspired heterostructured membranes possess multilevel interlayer spacing distributions, where the closely packed layers with sub‐nanosized interlayer space provide ultrafast confined interlayer ion transport, while the loosely stacked outer layers consisting of open channels with large distances up to few micrometres are favorable for rapid wetting and penetration of liquid electrolytes. The combination of advantages of large‐size open channels and nanosized confined channels offers ultrafast electrolyte wetting and permeation and interlayer ion transport and provide the devices with superior volumetric capacity as free‐standing electrodes for rechargeable batteries.
Frontispiece: Crystal Channel Engineering for Rapid Ion Transport: From Nature to Batteries
Publisher: Wiley
Date: 21-02-2022
Low-Cost Ni2P/Ni0.96S Heterostructured Bifunctional Electrocatalyst toward Highly Efficient Overall Urea-Water Electrolysis
Publisher: American Chemical Society (ACS)
Date: 18-12-2019
Abstract: Water splitting is a sustainable approach for production of hydrogen to fuel some clean energy technologies. This process, unfortunately, has been significantly impeded by the puzzles in either the efficient but economically unaffordable noble-metal-based catalysts or the low-cost but kinetically sluggish abundant-element-based catalysts. Particularly, the discovery of efficient bifunctional catalysts that can simultaneously trigger the reactions of both anode and cathode for overall water splitting still remains as a grand challenge. Herein, a novel low-cost bifunctional Ni
Bioinspired 2D Nanomaterials for Sustainable Applications
Publisher: Wiley
Date: 02-07-2019
Abstract: The increasing demand for constructing ecological civilization and promoting socially sustainable development has encouraged scientists to develop bioinspired materials with required properties and functions. By bringing science and nature together, plenty of novel materials with extraordinary properties can be created by learning the best from natural species. In combination with the exceptional features of 2D nanomaterials, bioinspired 2D nanomaterials and technologies have delivered significant achievements. Here, the progress over the past decade in bioinspired 2D photonic structures, energy nanomaterials, and superwetting materials, is summarized, together with the challenges and opportunities in developing bioinspired materials for sustainable energy and environmental technologies.
Deformation modes and ideal strengths of ternary layeredTi 2<
Publisher: American Physical Society (APS)
Date: 14-06-2006
Molybdenum‐Promoted Surface Reconstruction in Polymorphic Cobalt for Initiating Rapid Oxygen Evolution
Publisher: Wiley
Date: 03-12-2021
Abstract: It has been well recognized that the surface reconstruction of electrocatalysts at the initial stage in the form of phase transitions, defect migrations, valence regulations, etc., plays a critical role in generating real, surface active catalytic centers and achieving steady surface reactions. It is also expected that a low activation energy barrier for initiating surface reconstruction is crucial for rapid and stable electrochemical catalysis. Despite this, the surface reconstruction kinetics and their effects on catalytic reactions have been rarely investigated. Herein, using phase modulated polymorphic cobalt‐based catalysts with tailorable nitrogen‐metal bonds through a cationic molybdenum‐substitution strategy, real‐time X‐ray photoelectron spectroscopy (XPS) structural monitoring of the surface chemical state evolution during the catalytic reaction is performed to track the initial surface reconstruction kinetics during the alkaline oxygen evolution reaction (OER). It is concluded that the molybdenum‐modulated cobalt‐based nanocatalyst can be tuned with favorable initial surface reconstruction and stabilized active centers to reach optimized OER catalysis, accompanied by a low onset overpotential of only 210 mV and a favorable overpotential at 10 mA cm –2 of 290 mV, outperforming the commercial, noble‐metallic RuO 2 catalyst. This study thus provides new conceptual insights into rationally regulating the initial surface reconstruction kinetics for high‐performance electrocatalysis reactions.
Metal‐Nitrogen‐Doped Carbon Materials as Highly Efficient Catalysts: Progress and Rational Design
Publisher: Wiley
Date: 23-06-2020
Edge Engineering in 2D Molybdenum Disulfide: Simultaneous Regulation of Lithium and Polysulfides for Stable Lithium–Sulfur Batteries
Publisher: Wiley
Date: 24-05-2021
Abstract: Polysulfides shuttling and lithium dendrite growth are two challenges confronting lithium–sulfur batteries (LSBs). Herein, edge engineering of 2D transition metal dichalcogenides (TMDs) is proposed to simultaneously address these two issues. First, utilizing MoS 2 as a model material, theoretical calculations demonstrate the strong binding affinity of polysulfides to molybdenum edges and the robust electrovalent bonds between Li + and sulfur edges, thus predicting the multifunctional regulation capability of edge‐rich MoS 2 . Holey atomically thin MoS 2 ‐constructed nanobrushes (HATM‐NBs) are then prepared by a polar functionality‐assisted anchoring strategy. The functionality anchoring effectively inhibits longitudinal growth of 2D MoS 2 and more impressively facilitates formation of plentiful in‐plane nanopores due to the fast nucleation and growth. Spectroscopy and electrochemical techniques verify the superior adsorption/catalytic conversion of polysulfides by Mo edges and therefore accelerated redox reactions. The sulfur edge‐rich nanobrush structure promotes good contact with the lithium metal anode, homogenized Li + flux, and thus uniform lithium plating/stripping. A fabricated laminate cell with ultrathin HATM‐NBs‐coated separator demonstrates superior electrochemical performances even under harsh test conditions (high sulfur loading of 7.43 mg cm −2 and low E/S ratio of 5 mL g −1 ). The rational design of multifunctional edge‐rich 2D TMDs provides fresh insights for developing stable LSBs.
A 3D rGO-supported NiFe2O4 heterostructure from sacrificial polymer-assisted exfoliation of NiFe-LDH for efficient oxygen evolution reaction
Publisher: Elsevier BV
Date: 11-2022
Theoretically Manipulating Quantum Dots on Two-Dimensional TiO2 Monolayer for Effective Visible Light Absorption
Publisher: American Chemical Society (ACS)
Date: 27-02-2017
Abstract: Low solar energy harvesting and conversion efficiency has become a major problem in solar energy science and engineering owing to the difficulty in capturing solar energy across the wide solar spectrum, especially in the visible light range. Inspired by the extraordinary properties of materials arising from decreased dimensions, in this study, we explore a nanocontact system formed by a two-dimensional (2D) TiO
Simplest MOF Units for Effective Photodriven Hydrogen Evolution Reaction
Publisher: American Chemical Society (ACS)
Date: 29-06-2018
DOI: 10.1021/JACS.8B04599
Abstract: Metal-organic frameworks (MOFs) combining the merits of both organic and inorganic functional building structures are fundamentally important and can meet the requirement of vast scientific and technological applications. Intrigued from the fact that transition metals (TMs) are widely embedded in the carbon sp
First-principles study of neutral silicon interstitials in 3C- and 4H-SiC
Publisher: Informa UK Limited
Date: 11-09-2009
Predicting multiple Dirac-cones and ultrahigh Fermi velocity in perovskiteR3̄cphase LaCuO3
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8TC00872H
Abstract: The experimentally synthesised LaCuO 3 compound crystallizing in perovskite phase is predicted to be Dirac materials with multiple ultrafast transport channels.
Metal dopants adjusted perovskite stannates: Conductivity and optical properties
Publisher: Elsevier BV
Date: 09-2018
Responsive Nanomaterials for Sustainable Applications
Publisher: Springer International Publishing
Date: 2020
1D Coordination Polymers of 1,1′-Dibromoferrocene Following Debromination on Ag(111)
Publisher: American Chemical Society (ACS)
Date: 07-06-2022
Superior mechanical properties of Nb2AsC to those of other layered ternary carbides: a first-principles study
Publisher: IOP Publishing
Date: 29-09-2006
Biomineralization-inspired dendrite-free Zn-electrode for long-term stable aqueous Zn-ion battery
Publisher: Elsevier BV
Date: 12-2022
In Situ Growth of Transition Metal Nanoparticles on Aluminosilicate Minerals for Oxygen Evolution
Publisher: Wiley
Date: 06-05-2021
Abstract: Earth‐abundant and environmentally friendly aluminosilicate minerals can be one of the promising alternatives to develop cost‐effective energy conversion and storage devices. Herein, in situ growth of transition metal nanoparticles is proposed to modify two commonly available feldspar minerals, albite and microcline, for promoting electrocatalytic oxygen evolution reaction activity via a one‐step thermal reduction strategy. Three types of transition metal nanoparticles, namely, Ni, Co, and Fe, are selected to modify the albite or microcline surfaces. As expected, these modified products deliver enhanced catalytic activities compared to the pristine minerals. Particularly, Co‐modified microcline (C‐KASO) demonstrates the best performance that even outperforms the commercial RuO 2 catalyst. This design by coupling low‐cost aluminosilicate minerals with active transition metal nanoparticles offers a new insight into directly utilizing the natural abundant resources to address the current energy crisis.
High‐Temperature Nitridation Induced Carbon Nanotubes@NiFe‐Layered‐Double‐Hydroxide Nanosheets Taking as an Oxygen Evolution Reaction Electrocatalyst for CO2 Electroreduction
Publisher: Wiley
Date: 15-09-2021
Abstract: The development of high‐efficiency catalysts for carbon dioxide reduction reaction (CO 2 RR) and oxygen evolution reactions (OER) is an important strategy to solve the current energy crisis. In this paper, solid‐phase exfoliation and electrostatic self‐assembly strategies are developed to couple ultrathin NiFe‐layered‐double‐hydroxide nanosheets and carbon nanotubes (CNT@NiFe‐LDH NS) as an OER catalyst. Then, NiFe nanoparticles anchored on the N‐doped CNT (CNT‐N‐NiFe) for electrocatalyst of CO 2 RR is synthesized via pyrolysis of a mixture of CNT@NiFe‐LDH NS and melamine in a nitrogen atmosphere at 750 °C, utilizing the ultrathin NiFe‐LDH NS as a metal source and CNT as the framework. CNT@NiFe‐LDH NS nanohybrid exhibits a better catalytic activity for OER (with an overpotential of 270 mV at the current density of 20 mA cm –2 and remarkably stable durability) than Bulk NiFe‐LDH in 1 m KOH. Moreover, the CNT‐N‐NiFe catalyst exhibits a Faradaic efficiency of ≈82.6% for the reduction of CO 2 to CO at −0.7 V (vs reversible hydrogen electrode) with a current density of CO 10.2 mA cm –2 . The method of preparing CO 2 RR catalysts provides a new idea of the preparation of bimetallic CO 2 RR electrocatalysts.
Fly compound-eye inspired inorganic nanostructures with extraordinary visible-light responses
Publisher: Elsevier BV
Date: 10-2016
The Role of Atomic Vacancy on Water Dissociation over Titanium Dioxide Nanosheet: A Density Functional Theory Study
Publisher: American Chemical Society (ACS)
Date: 17-01-2012
DOI: 10.1021/JP208951P
Zr4+Doping in Li4Ti5O12Anode for Lithium-Ion Batteries: Open Li+Diffusion Paths through Structural Imperfection
Publisher: Wiley
Date: 02-04-2014
Abstract: One-dimensional nanomaterials have short Li(+) diffusion paths and promising structural stability, which results in a long cycle life during Li(+) insertion and extraction processes in lithium rechargeable batteries. In this study, we fabricated one-dimensional spinel Li4Ti5O12 (LTO) nanofibers using an electrospinning technique and studied the Zr(4+) doping effect on the lattice, electronic structure, and resultant electrochemical properties of Li-ion batteries (LIBs). Accommodating a small fraction of Zr(4+) ions in the Ti(4+) sites of the LTO structure gave rise to enhanced LIB performance, which was due to structural distortion through an increase in the average lattice constant and thereby enlarged Li(+) diffusion paths rather than changes to the electronic structure. Insulating ZrO2 nanoparticles present between the LTO grains due to the low Zr(4+) solubility had a negative effect on the Li(+) extraction capacity, however. These results could provide key design elements for LTO anodes based on atomic level insights that can pave the way to an optimal protocol to achieve particular functionalities.
2D ferroelectric devices: working principles and research progress
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1CP02788C
Abstract: Due to their unique reversible polarization, 2D ferroelectrics are promising for nanodevice applications in ferroelectric field effect transistors, diodes and tunnel junctions.
Architecture designed ZnO hollow microspheres with wide-range visible-light photoresponses
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3TC31649A
Janus nanoarchitectures: From structural design to catalytic applications
Publisher: Elsevier BV
Date: 10-2018
Atomistic deformation modes and intrinsic brittleness ofAl 4<
Publisher: American Physical Society (APS)
Date: 16-11-2006
Carbon–Phosphorus Bonds-Enriched 3D Graphene by Self-Sacrificing Black Phosphorus Nanosheets for Elevating Capacitive Lithium Storage
Publisher: American Chemical Society (ACS)
Date: 17-04-2020
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Institute Of Metal Research Chinese Academy Of Sciences
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