ORCID Profile
0000-0003-1871-9323
Current Organisation
University of Adelaide
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Publisher: Wiley
Date: 21-12-2023
Abstract: It remains challenging to achieve further breakthroughs in the development of durable bifunctional air cathode electrocatalysts for increasing the cycling life of rechargeable Zn‐air battery (RZAB). Herein, d‐band gap narrowing strategy is proposed to significantly boost the electrocatalytic activity and stability of spinel Co 3 O 4 for both oxygen reduction and evolution reactions. In situ Raman spectroscopy finds that the Ce atom substitution can significantly improve the durability and corrosion resistance of electrocatalysts in harsh alkaline electrolytes. Synchrotron X‐ray absorption fine structure reveals that the Co 3+ /Co 2+ ratio of Co 3 O 4 can be tuned with Ce introduction, which is beneficial to optimize the adsorption/desorption of the intermediates over Co oh 3+ active sites. Density functional theory calculations further confirm the reduced gap between Co d‐band and O p‐band centers, increased electrical conductivity, together with the deepened valence band maximum of Co sites in Ce‐doped Co 3 O 4 . Thereby, the optimized RZAB with Ce‐Co 3 O 4 delivers excellent long‐term durability (290 h) and large specific capacity (876.3 ), which possesses great prospects in all‐solid‐state flexible RZAB devices.
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8TA11626A
Abstract: The dissociative chemisorption energy of water was proposed to address both thermodynamics and kinetics of alkaline hydrogen evolution.
Publisher: American Association for the Advancement of Science (AAAS)
Date: 14-10-2022
Abstract: The diffusion-limited aggregation (DLA) of metal ion (M n+ ) during the repeated solid-to-liquid (StoL) plating and liquid-to-solid (LtoS) stripping processes intensifies fatal dendrite growth of the metallic anodes. Here, we report a new solid-to-solid (StoS) conversion electrochemistry to inhibit dendrites and improve the utilization ratio of metals. In this StoS strategy, reversible conversion reactions between sparingly soluble carbonates (Zn or Cu) and their corresponding metals have been identified at the electrode/electrolyte interface. Molecular dynamics simulations confirm the superiority of the StoS process with accelerated anion transport, which eliminates the DLA and dendrites in the conventional LtoS/StoL processes. As proof of concept, 2ZnCO 3 ·3Zn(OH) 2 exhibits a high zinc utilization of ca. 95.7% in the asymmetry cell and 91.3% in a 2ZnCO 3 ·3Zn(OH) 2 || Ni-based full cell with 80% capacity retention over 2000 cycles. Furthermore, the designed 1-Ah pouch cell device can operate stably with 500 cycles, delivering a satisfactory total energy density of 135 Wh kg −1 .
Publisher: Elsevier BV
Date: 11-2018
Publisher: Springer Science and Business Media LLC
Date: 08-2016
Publisher: Elsevier BV
Date: 02-2021
Publisher: Elsevier BV
Date: 11-2016
Publisher: American Chemical Society (ACS)
Date: 26-02-2019
Publisher: Elsevier BV
Date: 08-2022
Publisher: Elsevier BV
Date: 04-2016
Publisher: Elsevier BV
Date: 09-2018
Publisher: Elsevier BV
Date: 03-2017
Publisher: American Chemical Society (ACS)
Date: 29-11-2018
Abstract: Transition metal nitrides (TMNs) have great potential for energy-related electrocatalysis because of their inherent electronic properties. However, incorporating nitrogen into a transition metal lattice is thermodynamically unfavorable, and therefore most of the developed TMNs are deficient in nitrogen. Consequently, these TMNs exhibit poor structural stability and unsatisfactory performance for electrocatalytic applications. In this work, we design and synthesize an atomically thin nitrogen-rich nanosheets, Mo
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0TA03991H
Abstract: Designed metal-free electrocatalysts combined with compressive strain can efficiently convert CO to valuable chemicals and fuels.
Publisher: Elsevier BV
Date: 07-2016
Publisher: American Chemical Society (ACS)
Date: 12-10-2023
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6TA08262A
Abstract: Enhanced interactions between CO 2 and N-doped carbon surfaces are elucidated by a combined experimental and computational analysis.
Publisher: Elsevier BV
Date: 04-2016
Publisher: American Chemical Society (ACS)
Date: 30-05-2019
DOI: 10.1021/JACS.9B03811
Abstract: The lack of chemical understanding and efficient catalysts impedes the development of electrocatalytic nitrogen reduction reaction (eNRR) for ammonia production. In this work, we employed density functional theory calculations to build up a picture (activity trends, electronic origins, and design strategies) of single-atom catalysts (SACs) supported on nitrogen-doped carbons as eNRR electrocatalysts. To construct such a picture, this work presents systematic studies of the eNRR activity of SACs covering 20 different transition metal (TM) centers coordinated by nitrogen atoms contained in three types of nitrogen-doped carbon substrates, which gives 60 SACs. Our study shows that the intrinsic activity trends could be established on the basis of the nitrogen adatom adsorption energy (Δ E
Publisher: Elsevier BV
Date: 2023
Publisher: Springer Science and Business Media LLC
Date: 03-02-2017
DOI: 10.1038/SREP40990
Abstract: Hybridizing battery and capacitor materials to construct lithium ion capacitors (LICs) has been regarded as a promising avenue to bridge the gap between high-energy lithium ion batteries and high-power supercapacitors. One of the key difficulties in developing advanced LICs is the imbalance in the power capability and charge storage capacity between anode and cathode. Herein, we design a new LIC system by integrating a rationally designed Sn-C anode with a biomass-derived activated carbon cathode. The Sn-C nanocomposite obtained by a facile confined growth strategy possesses multiple structural merits including well-confined Sn nanoparticles, homogeneous distribution and interconnected carbon framework with ultra-high N doping level, synergically enabling the fabricated anode with high Li storage capacity and excellent rate capability. A new type of biomass-derived activated carbon featuring both high surface area and high carbon purity is also prepared to achieve high capacity for cathode. The assembled LIC (Sn-C//PAC) device delivers high energy densities of 195.7 Wh kg −1 and 84.6 Wh kg −1 at power densities of 731.25 W kg −1 and 24375 W kg −1 , respectively. This work offers a new strategy for designing high-performance hybrid system by tailoring the nanostructures of Li insertion anode and ion adsorption cathode.
Publisher: Elsevier BV
Date: 11-2018
Publisher: Springer Science and Business Media LLC
Date: 17-09-2022
DOI: 10.1038/S41467-022-33258-0
Abstract: Electrosynthesis of urea from CO 2 and NO X provides an exceptional opportunity for human society, given the increasingly available renewable energy. Urea electrosynthesis is challenging. In order to raise the overall electrosynthesis efficiency, the most critical reaction step for such electrosynthesis, C-N coupling, needs to be significantly improved. The C-N coupling can only happen at a narrow potential window, generally in the low overpotential region, and a fundamental understanding of the C-N coupling is needed for further development of this strategy. In this regard, we perform ab initio Molecular Dynamics simulations to reveal the origin of C-N coupling under a small electrode potential window with both the dynamic nature of water as a solvent, and the electrode potentials considered. We explore the key reaction networks for urea formation on Cu(100) surface in neutral electrolytes. Our work shows excellent agreement with experimentally observed selectivity under different potentials on the Cu electrode. We discover that the * NH and * CO are the key precursors for C-N bonds formation at low overpotential, while at high overpotential the C-N coupling occurs between adsorbed * NH and solvated CO. These insights provide vital information for future spectroscopic measurements and enable us to design new electrochemical systems for more value-added chemicals.
Publisher: Wiley
Date: 13-06-2019
Abstract: Electrochemical nitrogen reduction reaction (NRR) under ambient conditions provides an avenue to produce carbon-free hydrogen carriers. However, the selectivity and activity of NRR are still hindered by the sluggish reaction kinetics. Nitrogen Vacancies on transition metal nitrides are considered as one of the most ideal active sites for NRR by virtue of their unique vacancy properties such as appropriate adsorption energy to dinitrogen molecule. However, their catalytic performance is usually limited by the unstable feature. Herein, a new 2D layered W
Publisher: American Chemical Society (ACS)
Date: 19-03-2018
DOI: 10.1021/ACS.CHEMREV.7B00689
Abstract: Over the past few decades, the design and development of advanced electrocatalysts for efficient energy conversion technologies have been subjects of extensive study. With the discovery of graphene, two-dimensional (2D) nanomaterials have emerged as some of the most promising candidates for heterogeneous electrocatalysts due to their unique physical, chemical, and electronic properties. Here, we review 2D-nanomaterial-based electrocatalysts for selected electrocatalytic processes. We first discuss the unique advances in 2D electrocatalysts based on different compositions and functions followed by specific design principles. Following this overview, we discuss various 2D electrocatalysts for electrocatalytic processes involved in the water cycle, carbon cycle, and nitrogen cycle from their fundamental conception to their functional application. We place a significant emphasis on different engineering strategies for 2D nanomaterials and the influence these strategies have on intrinsic material performance, such as electronic properties and adsorption energetics. Finally, we feature the opportunities and challenges ahead for 2D nanomaterials as efficient electrocatalysts. By considering theoretical calculations, surface characterization, and electrochemical tests, we describe the fundamental relationships between electronic structure, adsorption energy, and apparent activity for a wide variety of 2D electrocatalysts with the goal of providing a better understanding of these emerging nanomaterials at the atomic level.
Publisher: American Chemical Society (ACS)
Date: 02-05-2023
DOI: 10.1021/JACS.3C03039
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D3EE00658A
Abstract: Reunderstanding the faradaic reaction mechanism at the electrode/electrolyte interface from the specific adsorption of solvation structures towards advanced aqueous Zn–Mn batteries.
Publisher: Elsevier BV
Date: 10-2023
Publisher: American Chemical Society (ACS)
Date: 02-01-2020
Publisher: Elsevier BV
Date: 12-2015
Publisher: Elsevier BV
Date: 11-2016
Publisher: Elsevier BV
Date: 09-2016
No related grants have been discovered for Xin Liu.