ORCID Profile
0000-0001-7994-9152
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Materials engineering | Nanomaterials | Functional materials | Electrochemical energy storage and conversion
Publisher: Wiley
Date: 18-08-2023
Abstract: As a burgeoning electrolyte system, eutectic electrolytes based on ZnCl 2 /Zn(CF 3 SO 3 ) 2 /Zn(TFSI) 2 have been widely proposed in advanced Zn‐I 2 batteries however, safety and cost concerns significantly limit their applications. Here, we report new‐type ZnSO 4 ‐based eutectic electrolytes that are both safe and cost‐effective. Their universality is evident in various solvents of polyhydric alcohols, in which multiple −OH groups not only involve in Zn 2+ solvation but also interact with water, resulting in the high stability of electrolytes. Taking propylene glycol‐based hydrated eutectic electrolyte as an ex le, it features significant advantages in non‐flammability and low price that is /200 cost of Zn(CF 3 SO 3 ) 2 /Zn(TFSI) 2 ‐based eutectic electrolytes. Moreover, its effectiveness in confining the shuttle effects of I 2 cathode and side reactions of Zn anodes is evidenced, resulting in Zn‐I 2 cells with high reversibility at 1 C and 91.4 % capacity remaining under 20 C. After scaling up to the pouch cell with a record mass loading of 33.3 mg cm −2 , super‐high‐capacity retention of 96.7 % is achieved after 500 cycles, which exceeds other aqueous counterparts. This work significantly broadens the eutectic electrolyte family for advanced Zn battery design.
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: Elsevier BV
Date: 10-2017
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: 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: Elsevier BV
Date: 11-2016
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: Elsevier BV
Date: 11-2018
Publisher: Springer Science and Business Media LLC
Date: 20-09-2023
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: 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: 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: Elsevier BV
Date: 06-2015
Publisher: American Chemical Society (ACS)
Date: 09-07-2018
Publisher: American Chemical Society (ACS)
Date: 22-02-2019
DOI: 10.1021/JACS.8B13673
Abstract: Atomically thin, single-crystalline InVO
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: 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: Elsevier BV
Date: 08-2016
Publisher: American Chemical Society (ACS)
Date: 22-10-2019
DOI: 10.1021/JACS.9B09232
Abstract: Electrocatalytic N
Publisher: American Chemical Society (ACS)
Date: 08-01-2020
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7RA03157B
Abstract: The reaction mechanism for the ORR on Fe–N 3 -Gra is investigated theoretically. Our results indicate that the ORR is a direct four-electron process, and the kinetically most favorable pathway is O 2 hydrogenation.
Publisher: American Chemical Society (ACS)
Date: 21-09-2020
Publisher: World Scientific Pub Co Pte Lt
Date: 10-08-2016
DOI: 10.1142/S0217979216501319
Abstract: The thermodynamic, mechanical and dynamic properties of TcB 3 and MoB 3 are systematically investigated at high-pressure by first-principles within density functional theory (DFT). The calculated formation enthalpies are negative for TcB 3 with considered structures under the pressure range from 0 to 100 GPa. Triboride hP4-TcB 3 (i.e., TcB 3 in hP4-OsB 3 type structure) has the lowest formation enthalpy of −1.44 eV under ambient condition. The largest shear modulus of 240 GPa and smallest Poisson’s ratio of 0.20 for oP16-TcB 3 are comparable to those of 267 GPa and 0.15 for ReB 2 . The calculated elastic constants show that MB 3 (M=Tc and Mo) are mechanically stable at ambient conditions, except for mP8-MoB 3 . The estimated high hardness of 33.4 and 33.1 GPa for oP16-TcB 3 and hP4-TcB 3 , respectively, are reported for the first time. The calculated lattice parameters for MoB 3 are in good agreement with the previously theoretical and experimental studies. Below 13 GPa, hP16-MoB 3 and hR24-MoB 3 are thermodynamically more favorable than MoB 3 in other structures. A pressure-induced phase transition is predicted at 13 GPa from hP16-MoB 3 and hR24-MoB 3 to hP4-MoB 3 . Above 13 GPa, hP4-MoB 3 becomes the thermodynamically most stable phase among MoB 3 in considered structures. All compounds with considered structures are metallic, and the electronic structures of MB 3 are governed by a strong hybridization between M-4d and B-2p states. The strong and directional covalent bonding between M-4d and B-2p as well as the strong interlayer interactions of boron layers are correlated to the high hardness of 38.0 and 38.4 GPa for hP16-MoB 3 and hR24-MoB 3 , respectively.
Publisher: The Electrochemical Society
Date: 2016
DOI: 10.1149/2.0381614JES
Publisher: American Chemical Society (ACS)
Date: 02-11-2021
Publisher: Wiley
Date: 16-03-2023
Abstract: The electrochemical urea oxidation reaction (UOR) is an alternative to electrooxidation of water for energy–saving hydrogen (H 2 ) production. To maximize this purpose, design of catalysts for selective urea‐to‐nitrite (NO 2 – ) electrooxidation with increased electron transfer and high current is practically important. Herein, a cobalt, germanium (Co, Ge) co‐doped nickel (Ni) oxyhydroxide catalyst is reported first time that directs urea‐to‐NO 2 – conversion with a significant Faradaic efficiency of 84.9% at 1.4 V versus reversible hydrogen electrode and significantly boosts UOR activity to 448.0 mA cm −2 . Importantly, this performance is greater than for most reported Ni‐based catalysts. Based on judiciously combined synchrotron‐based measurement, in situ spectroscopy and density functional theoretical computation, significantly boosted urea‐to‐NO 2 – production results from Co, Ge co‐doping is demonstrated that optimizes electronic structure of Ni sites in which urea adsorption is altered as NO‐terminal configuration to facilitate CN cleavage for *NH formation, and thereby expedites pathway for urea to NO 2 – conversion. Findings highlight the importance of tuning intermediate adsorption behavior for design of high‐performance UOR electrocatalysts, and will be of practical benefit to a range of researchers and manufacturers in replacing conventional water electrooxidation with UOR for energy‐saving H 2 production.
Publisher: Elsevier BV
Date: 06-2022
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: 15-08-2021
Abstract: The unique InVO 4 mesocrystal superstructure, particularly with cubical skeleton and hollow interior, which consists of numerous nanocube building blocks, closely stacking by stacking, aligning by aligning, and sharing the same crystallographic orientations, is successfully fabricated. The synergy of a reaction‐limited aggregation and an Ostwald ripening process is reasonably proposed for the growth of this unique superstructure. Both single‐particle surface photovoltage and confocal fluorescence spectroscopy measurements demonstrate that the long‐range ordered mesocrystal superstructures can significantly retard the recombination of electron–hole pairs through the creation of a new pathway for anisotropic electron flow along the inter‐nanocubes. This promising charge mobility feature of the superstructure greatly contributes to the pronounced photocatalytic performance of the InVO 4 mesocrystal toward fixation of N 2 into NH 3 with the quantum yield of 0.50% at wavelength of 385 nm.
Publisher: Springer Science and Business Media LLC
Date: 09-07-2021
DOI: 10.1038/S41467-021-24329-9
Abstract: Oxygen reduction reaction towards hydrogen peroxide (H 2 O 2 ) provides a green alternative route for H 2 O 2 production, but it lacks efficient catalysts to achieve high selectivity and activity simultaneously under industrial-relevant production rates. Here we report a boron-doped carbon (B-C) catalyst which can overcome this activity-selectivity dilemma. Compared to the state-of-the-art oxidized carbon catalyst, B-C catalyst presents enhanced activity (saving more than 210 mV overpotential) under industrial-relevant currents (up to 300 mA cm −2 ) while maintaining high H 2 O 2 selectivity (85–90%). Density-functional theory calculations reveal that the boron dopant site is responsible for high H 2 O 2 activity and selectivity due to low thermodynamic and kinetic barriers. Employed in our porous solid electrolyte reactor, the B-C catalyst demonstrates a direct and continuous generation of pure H 2 O 2 solutions with high selectivity (up to 95%) and high H 2 O 2 partial currents (up to ~400 mA cm −2 ), illustrating the catalyst’s great potential for practical applications in the future.
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: Wiley
Date: 17-08-2023
Abstract: As a burgeoning electrolyte system, eutectic electrolytes based on ZnCl 2 /Zn(CF 3 SO 3 ) 2 /Zn(TFSI) 2 have been widely proposed in advanced Zn‐I 2 batteries however, safety and cost concerns significantly limit their applications. Here, we report new‐type ZnSO 4 ‐based eutectic electrolytes that are both safe and cost‐effective. Their universality is evident in various solvents of polyhydric alcohols, in which multiple −OH groups not only involve in Zn 2+ solvation but also interact with water, resulting in the high stability of electrolytes. Taking propylene glycol‐based hydrated eutectic electrolyte as an ex le, it features significant advantages in non‐flammability and low price that is /200 cost of Zn(CF 3 SO 3 ) 2 /Zn(TFSI) 2 ‐based eutectic electrolytes. Moreover, its effectiveness in confining the shuttle effects of I 2 cathode and side reactions of Zn anodes is evidenced, resulting in Zn‐I 2 cells with high reversibility at 1 C and 91.4 % capacity remaining under 20 C. After scaling up to the pouch cell with a record mass loading of 33.3 mg cm −2 , super‐high‐capacity retention of 96.7 % is achieved after 500 cycles, which exceeds other aqueous counterparts. This work significantly broadens the eutectic electrolyte family for advanced Zn battery design.
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: American Chemical Society (ACS)
Date: 08-01-2020
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0EE01968B
Abstract: Direct methanol fuel cells (DMFCs) are promising power sources for portable electronic devices. Atomically dispersed M–N–C cathode catalysts demonstrated a great potential in addressing the high-cost and methanol crossover issues in DMFCs.
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8NR10142F
Abstract: The interlayer coupling interaction between few-layer g-C 3 N 4 plays a key role in optimizing the photocatalytic hydrogen evolution performance.
Publisher: Springer Science and Business Media LLC
Date: 13-05-2022
DOI: 10.1038/S41467-022-30251-5
Abstract: Electrochemical water oxidation reaction (WOR) to hydrogen peroxide (H 2 O 2 ) via a 2e − pathway provides a sustainable H 2 O 2 synthetic route, but is challenged by the traditional 4e − counterpart of oxygen evolution. Here we report a CO 2 /carbonate mediation approach to steering the WOR pathway from 4e − to 2e − . Using fluorine-doped tin oxide electrode in carbonate solutions, we achieved high H 2 O 2 selectivity of up to 87%, and delivered unprecedented H 2 O 2 partial currents of up to 1.3 A cm −2 , which represents orders of magnitude improvement compared to literature. Molecular dynamics simulations, coupled with electron paramagnetic resonance and isotope labeling experiments, suggested that carbonate mediates the WOR pathway to H 2 O 2 through the formation of carbonate radical and percarbonate intermediates. The high selectivity, industrial-relevant activity, and good durability open up practical opportunities for delocalized H 2 O 2 production.
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C6RA25118H
Abstract: Heteroatom doped graphene has caused particular interest in recent years due to its promising ORR (oxygen reduction reaction) activity in fuel cells.
Publisher: Wiley
Date: 13-12-2019
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: Elsevier BV
Date: 06-2020
Publisher: Wiley
Date: 27-09-2019
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1EE01271A
Abstract: A new strategy is designed to synthesize strained cobalt fluoride–sulfide catalysts with tunable lattice strains modulated by the Cu-dopant and stabilized local strain by forming a core–shell heterostructure in well-confined porous/tubular films.
Publisher: Wiley
Date: 28-10-2016
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.
Start Date: 2024
End Date: 12-2026
Amount: $350,237.00
Funder: Australian Research Council
View Funded Activity