ORCID Profile
0000-0002-4529-874X
Current Organisation
Southeast University
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Composite and Hybrid Materials | Catalytic Process Engineering | Functional Materials | Materials Engineering
Hydrogen Production from Renewable Energy | Fuel Cells (excl. Solid Oxide) | Energy Storage (excl. Hydrogen) |
Publisher: Wiley
Date: 28-06-2022
DOI: 10.1002/EEM2.12203
Abstract: Effectively controlling the selectivity of C 2 oxygenates is desirable for electrocatalytic CO 2 reduction. Copper catalyst has been considered as the most potential for reducing CO 2 to C 2 products, but it still suffers from low C 2 selectivity, high overpotential, and competitive hydrogen evolution reaction (HER). Here, we propose a design strategy to introduce a second metal that weakly binds to H and a functional ligand that provides hydrogen bonds and protons to achieve high selectivity of C 2 oxygenates and effective suppression of HER on the Cu(100) surface simultaneously. Seven metals and eleven ligands are screened using first‐principles calculations, which shows that Sn is the most efficient for inhibiting HER and cysteamine (CYS) ligand is the most significant in reducing the limiting potential of *CO hydrogenation to *CHO. In the post C−C coupling steps, a so‐called “pulling effect” that transfers H in the CYS ligand as a viable proton donor to the C 2 intermediate to form an H bond, can further stabilize the OH group and facilitate the selection of C 2 products toward oxygenates. Therefore, this heterogeneous electrocatalyst can effectively reduce CO 2 to ethanol and ethylene glycol with an ultra‐low limiting potential of −0.43 V. This study provides a new strategy for effectively improving the selectivity of C 2 oxygenates and inhibiting HER to achieve advanced electrocatalytic CO 2 reduction.
Publisher: American Chemical Society (ACS)
Date: 06-06-2016
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C9CP02985K
Abstract: The oxidation mechanisms of 1T-phased group VIB disulfides are investigated, and the effects of surface vacancies and edges are emphasized.
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1NH00196E
Abstract: Low limiting potential, high product selectivity, strong visible light absorbance and satisfactory band edge positions make Cu 2 S monolayers a very compelling photocatalyst for CO 2 reduction.
Publisher: Wiley
Date: 13-06-2020
Abstract: The mixing of charge states of metal copper catalysts may lead to a much improved reactivity and selectivity toward multicarbon products for CO
Publisher: American Chemical Society (ACS)
Date: 08-12-2016
Publisher: American Chemical Society (ACS)
Date: 09-07-2018
Publisher: Springer Science and Business Media LLC
Date: 09-01-2019
DOI: 10.1007/S40820-018-0232-2
Abstract: The development of efficient earth-abundant electrocatalysts for oxygen reduction, oxygen evolution, and hydrogen evolution reactions (ORR, OER, and HER) is important for future energy conversion and energy storage devices, for which both rechargeable Zn–air batteries and water splitting have raised great expectations. Herein, we report a single-phase bimetallic nickel cobalt sulfide ((Ni,Co)S 2 ) as an efficient electrocatalyst for both OER and ORR. Owing to the synergistic combination of Ni and Co, the (Ni,Co)S 2 exhibits superior electrocatalytic performance for ORR, OER, and HER in an alkaline electrolyte, and the first principle calculation results indicate that the reaction of an adsorbed O atom with a H 2 O molecule to form a *OOH is the potential limiting step in the OER. Importantly, it could be utilized as an advanced air electrode material in Zn–air batteries, which shows an enhanced charge–discharge performance (charging voltage of 1.71 V and discharge voltage of 1.26 V at 2 mA cm −2 ), large specific capacity (842 mAh g Zn −1 at 5 mA cm −2 ), and excellent cycling stability (480 h). Interestingly, the (Ni,Co)S 2 -based Zn–air battery can efficiently power an electrochemical water-splitting unit with (Ni,Co)S 2 serving as both the electrodes. This reveals that the prepared (Ni,Co)S 2 has promising applications in future energy conversion and energy storage devices.
Publisher: American Chemical Society (ACS)
Date: 30-08-2017
DOI: 10.1021/ACS.JPCLETT.7B02059
Abstract: Ultrathin indium selenide (InSe), as a newly emerging two-dimensional material with high carrier mobility and a broad absorption spectrum, has been the focus of current research. However, the long-term environmental instability of atomically thin InSe seriously limits its practical applications. To develop an effective strategy to protect InSe, it is crucial to reveal the degradation mechanism at the atomic level. By employing density functional theory and ab initio molecular dynamics simulations, we provide an in-depth understanding of the oxidation mechanism of InSe. The defect-free InSe presents excellent stability against oxidation. Nevertheless, the Se vacancies on the surface can react with water and oxygen in air directly and activate the neighboring In-Se bonds on the basal plane for further oxidation, leading to complete degradation of InSe into oxidation products of In
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0NR01409E
Abstract: The electrochemical method can directly convert N 2 into the high-value-added NH 3 under ambient conditions and is considered to be a green and sustainable alternative to the traditional Haber–Bosch process.
Publisher: American Chemical Society (ACS)
Date: 02-07-2012
DOI: 10.1021/NL301226K
Abstract: As an important class of spintronic material, ferromagnetic oxide semiconductors are characterized with both charge and spin degrees of freedom, but they often show weak magnetism and small coercivity, which limit their applications. In this work, we synthesized Nd-doped ZnO nanowire arrays which exhibit stable room temperature ferromagnetism with a large saturation magnetic moment of 4.1 μ(B)/Nd as well as a high coercivity of 780 Oe, indicating giant magnetic anisotropy. First-principles calculations reveal that the remarkable magnetic properties in Nd-doped ZnO nanowires can be ascribed to the intricate interplay between the spin moments and the Nd-derived orbital moments. Our complementary experimental and theoretical results suggest that these magnetic oxide nanowires obtained by the bottom-up synthesis are promising as nanoscale building blocks in spintronic devices.
Publisher: American Chemical Society (ACS)
Date: 08-01-2020
Publisher: American Chemical Society (ACS)
Date: 18-06-2020
DOI: 10.1021/JACS.0C04981
Publisher: American Chemical Society (ACS)
Date: 21-09-2020
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1TA00298H
Abstract: For photocatalytic N 2 fixation, electrons at the valence-band edge of the photocatalyst can be directly excited to π* orbitals, which not only significantly activates N 2 , but also effectively improves the selectivity.
Publisher: American Chemical Society (ACS)
Date: 05-08-2019
Abstract: In order to improve the efficiencies and service lifetimes of rechargeable Zn-air batteries, it is necessary to develop highly efficient air electrocatalysts. In the present study, we prove that the bifunctional electrocatalytic activity in NiO nanosheets is effectively improved by the synergistic effects of N dopants and considerably porous structure. As an electrocatalyst for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR), the as-prepared porous N-doped NiO nanosheets exhibit good activities with the small overpotential and ideal half-wave potential, which is superior to Ir/C electrocatalyst. Besides, it is proved that the process of HO* being oxidized to O* is the OER potential rate-determining step also the OER electrocatalytic performance of NiO can be markedly promote by the doping of N atoms using the density functional theory calculations. Furthermore, the fabricated Zn-air battery based on the porous N-doped NiO nanosheets also exhibits superior activities, outperforming many reported NiO-based electrocatalyst materials. Two series Zn-air cells with a voltage of 2.80 V can power a red light-emitting diode, which shows their large potential for various applications.
Publisher: Wiley
Date: 28-06-2016
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8TA11025E
Abstract: Metal-free Lewis acid catalyst is developed as a high-efficiency electrocatalyst to enable nitrogen reduction under ambient conditions. A new nitrogen activation mechanism via the pull–pull effect between Lewis acid sites and nitrogen is also proposed.
Publisher: MDPI AG
Date: 12-01-2022
DOI: 10.3390/EBJ3010004
Abstract: Secondary infections of skin grafts pose a continuous problem in burn patients, very often leading to loss of transplanted skin grafts and making multiple surgical revisions necessary. We present a case report about persisting Pseudomonas aeruginosa infection in burn patients with known diabetes. The burn wounds in lower extremities required repeated debridements, multiple skin grafting attempts and finally an application of the dermal scaffold NovoSorb BTM. With these measures, we managed to undertake a successful reconstruction of infected burn defects and pre-vent an utation. We concluded that the NovoSorb BTM could be seen as an additional promising tool in a burn surgery armamentarium. In cases where radical surgical wound decontamination is not possible without risking the loss of the limb, the application of NovoSorb BTM over a contaminated field can win extra time for topical infection treatment and additionally provide an excellent skin grafting ground.
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0CC02998J
Abstract: Theoretical methods and models for the description of thermodynamics and kinetics in electro-catalysis, including solvent effects, externally applied potentials, and many-body interactions, are discussed.
Publisher: Wiley
Date: 27-09-2019
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D0TA10925H
Abstract: Surface reconstruction induced in situ incorporation of P into NiO crystals based on a Ni 5 P 4 pre-catalyst for an enhanced oxygen evolution reaction.
Publisher: American Chemical Society (ACS)
Date: 25-04-2019
DOI: 10.1021/ACS.JPCLETT.9B00777
Abstract: To investigate the quantum confinement effect on excitons in hybrid perovskites, single-crystal platelets of CH
Publisher: Wiley
Date: 31-08-2018
Abstract: Defect-induced trap states are essential in determining the performance of semiconductor photodetectors. The de-trap time of carriers from a deep trap can be prolonged by several orders of magnitude as compared to shallow traps, resulting in additional decay/response time of the device. Here, it is demonstrated that the trap states in 2D ReS
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/C9NR07726J
Abstract: Metal single-atom coordinated graphitic carbon nitride exhibits excellent catalytic activity toward CO oxidation.
Publisher: Elsevier BV
Date: 11-2018
Publisher: American Chemical Society (ACS)
Date: 12-09-2022
DOI: 10.1021/JACS.2C07178
Abstract: The long-term stability of single-atom catalysts is a major factor affecting their large-scale commercial application. How to evaluate the dynamic stability of single-atom catalysts under working conditions is still lacking. Here, taking a single copper atom embedded in N-doped graphene as an ex le, the "constant-potential hybrid-solvation dynamic model" is used to evaluate the reversible transformation between copper single atoms and clusters under realistic reaction conditions. It is revealed that the adsorption of H is a vital driving force for the leaching of the Cu single atom from the catalyst surface. The more negative the electrode potential, the stronger the adsorption of H. As a result, the competitive hydrogen evolution reaction is inhibited, and Cu-N bonds are weakened, resulting in some Cu atoms being tethered on the catalyst surface and some being dissolved in the aqueous solution. The collision of the Cu atoms in the two states forms a transient Cu cluster structure as a true catalytic active site to promote CO
Publisher: American Chemical Society (ACS)
Date: 09-09-2016
DOI: 10.1021/ACS.JPCLETT.6B01731
Abstract: On the basis of global structure search and density functional theory calculations, we predict a new class of two-dimensional (2D) materials, titanium silicide (Ti
Publisher: Springer Science and Business Media LLC
Date: 20-03-2017
DOI: 10.1038/S41535-017-0018-7
Abstract: Atomic defects are easily created in the single-layer electronic devices of current interest and cause even more severe influence than in the bulk devices since the electronic quantum paths are obviously suppressed in the two-dimensional transport. Here we find a drop of chemical solution can repair the defects in the single-layer MoSe 2 field-effect transistors. The devices’ room-temperature electronic mobility increases from 0.1 cm 2 /Vs to around 30 cm 2 /Vs and hole mobility over 10 cm 2 /Vs after the solution processing. The defect dynamics is interpreted by the combined study of the first-principles calculations, aberration-corrected transmission electron microscopy, and Raman spectroscopy. Rich single/double Selenium vacancies are identified by the high-resolution microscopy, which cause some mid-gap impurity states and localize the device carriers. They are found to be repaired by the processing with the result of extended electronic states. Such a picture is confirmed by a 1.5 cm −1 red shift in the Raman spectra.
Publisher: CRC Press
Date: 20-07-2017
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8TA12193A
Abstract: A new three-step photo-oxidative degradation mechanism of MAPbI 3 is proposed. A strategy for protecting MAPbI 3 by 2-(4-fluorophenyl)propan-2-amine modification is designed.
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0CC00805B
Abstract: A 0D–1D direct Z-scheme heterojunction consisting of black phosphorus quantum dots (BPQDs) anchored onto WO 3 nanowires was well designed.
Publisher: American Chemical Society (ACS)
Date: 22-02-2019
DOI: 10.1021/JACS.8B13673
Abstract: Atomically thin, single-crystalline InVO
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1NR02582A
Abstract: Regulating the coordination environment of the SACs to promote the conversion of CO 2 to CH 4 .
Publisher: American Chemical Society (ACS)
Date: 22-10-2019
DOI: 10.1021/JACS.9B09232
Abstract: Electrocatalytic N
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0TA01047B
Abstract: Water splitting and rechargeable air-based batteries are emerging as new renewable energy storage and conversion technologies.
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8TA09358J
Abstract: MoN nanosheets for the first time serve as a highly active co-catalyst to greatly enhance the photocatalytic H 2 production of TiO 2 .
Publisher: Springer Science and Business Media LLC
Date: 13-09-2023
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D2MH01197B
Abstract: The performance of supported catalysts is largely decided by metal–support interactions, which is of great significance for the rational design of catalysts.
Publisher: American Chemical Society (ACS)
Date: 06-10-2021
DOI: 10.1021/JACS.1C08973
Publisher: Elsevier BV
Date: 06-2022
Publisher: American Chemical Society (ACS)
Date: 31-07-2017
DOI: 10.1021/ACS.NANOLETT.7B02518
Abstract: Nanosheet supported single-atom catalysts (SACs) can make full use of metal atoms and yet entail high selectivity and activity, and bifunctional catalysts can enable higher performance while lowering the cost than two separate unifunctional catalysts. Supported single-atom bifunctional catalysts are therefore of great economic interest and scientific importance. Here, on the basis of first-principles computations, we report a design of the first single-atom bifunctional eletrocatalyst, namely, isolated nickel atom supported on β
Publisher: Springer Science and Business Media LLC
Date: 06-08-2021
DOI: 10.1038/S41467-021-25068-7
Abstract: Artificial photosynthesis, light-driving CO 2 conversion into hydrocarbon fuels, is a promising strategy to synchronously overcome global warming and energy-supply issues. The quaternary AgInP 2 S 6 atomic layer with the thickness of ~ 0.70 nm were successfully synthesized through facile ultrasonic exfoliation of the corresponding bulk crystal. The sulfur defect engineering on this atomic layer through a H 2 O 2 etching treatment can excitingly change the CO 2 photoreduction reaction pathway to steer dominant generation of ethene with the yield-based selectivity reaching ~73% and the electron-based selectivity as high as ~89%. Both DFT calculation and in-situ FTIR spectra demonstrate that as the introduction of S vacancies in AgInP 2 S 6 causes the charge accumulation on the Ag atoms near the S vacancies, the exposed Ag sites can thus effectively capture the forming *CO molecules. It makes the catalyst surface enrich with key reaction intermediates to lower the C-C binding coupling barrier, which facilitates the production of ethene.
Publisher: American Chemical Society (ACS)
Date: 21-12-2021
DOI: 10.1021/JACS.1C11313
Publisher: American Chemical Society (ACS)
Date: 10-10-2018
Abstract: Lowering the concentration of CO
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/C9SC05236D
Abstract: Monolayer C 2 N supported heteronuclear dual-atom catalysts are designed for efficient CO 2 electrochemical reduction.
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7TA09828F
Abstract: We design a composite catalyst composed of molybdenum sulfide clusters and defective graphene with high activity and good stability for hydrogen evolution.
Publisher: American Chemical Society (ACS)
Date: 06-04-2023
Publisher: American Chemical Society (ACS)
Date: 04-10-2018
DOI: 10.1021/JACS.8B07472
Abstract: Solar nitrogen (N
Publisher: Wiley
Date: 13-12-2019
Publisher: American Chemical Society (ACS)
Date: 06-07-2017
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C6NR06621F
Abstract: Two-dimensional (2D) boron monolayers have been successfully synthesized on a silver substrate very recently. Their potential application is thus of great significance. In this work, we explore the possibility of boron monolayers (BMs) as electrocatalysts for the hydrogen evolution reaction (HER) by first-principles methods. Our calculations show that BMs are active catalysts for HER with nearly zero free energy of hydrogen adsorption, metallic conductivity and plenty of active sites in the basal plane. The effect of the substrate on HER activity is further assessed. It is found that the substrate has a positive effect on the HER performance caused by the competitive effect of mismatch strain and charge transfer. The in-depth understanding of the structure dependent HER activity is also provided.
Start Date: 2021
End Date: 2021
Amount: $300,000.00
Funder: Australian Research Council
View Funded Activity