A5091396785- Electrocatalysts for Energy Conversion
- Advanced Photocatalysis Techniques
- Catalytic Processes in Materials Science
- Advanced battery technologies research
- Copper-based nanomaterials and applications
- Electrochemical Analysis and Applications
- Machine Learning in Materials Science
- Cloud Computing and Resource Management
- Electronic and Structural Properties of Oxides
- CO2 Reduction Techniques and Catalysts
- TiO2 Photocatalysis and Solar Cells
- Ammonia Synthesis and Nitrogen Reduction
- Fuel Cells and Related Materials
- Photochromic and Fluorescence Chemistry
- Advanced Nanomaterials in Catalysis
- Catalysis for Biomass Conversion
- Advanced Polymer Synthesis and Characterization
- ZnO doping and properties
- Advanced Memory and Neural Computing
- Quality Function Deployment in Product Design
- Infrared Target Detection Methodologies
- Cardiac Imaging and Diagnostics
- IoT and Edge/Fog Computing
- Software-Defined Networks and 5G
- Perovskite Materials and Applications
University of Electronic Science and Technology of China
2009-2025
Collaborative Innovation Center of Chemistry for Energy Materials
2015-2024
Fudan University
2015-2024
City University College of Science and Technology
2023-2024
Center for Excellence in Brain Science and Intelligence Technology
2024
Chinese Academy of Sciences
2024
Xi'an Jiaotong University
2021-2024
Hohai University
2021-2024
Shanghai Micro Satellite Engineering Center
2022-2023
Nantong University
2013-2022
The development of highly active and stable oxygen evolution reaction (OER) electrocatalysts is crucial for improving the efficiency water splitting metal-air battery devices. Herein, an efficient strategy demonstrated making vacancies dominated cobalt-nickel sulfide interface porous nanowires (NiS2 /CoS2 -O NWs) boosting OER catalysis through in situ electrochemical NiS2 NWs. Because abundant structure, they can catalyze efficiently with a low overpotential 235 mV at j = 10 mA cm-2...
Mixed nickel–iron oxides have recently emerged as promising electrocatalysts for water oxidation because of their low cost and high activity, but the composition structure catalyst's active phase under working conditions are not yet fully established. We present here density functional theory calculations with on-site Coulomb repulsion energetics oxygen evolution reaction (OER) on selected surfaces pure mixed Ni–Fe that possible candidates phase. The investigated β-NiOOH(011̅5) γ-NiOOH(101),...
Due to its high overpotential and low efficiency, the conversion of water O(2) using solar energy remains a bottleneck for photocatalytic splitting. Here microscopic mechanisms oxygen evolution reaction (OER) on differently structured anatase surfaces in aqueous surroundings, namely, (101), (001), (102), are determined compared systematically by combining first-principles density functional theory calculations parallel periodic continuum solvation model. We show that OER involves sequential...
Single-atom catalysts (SACs) have enormous significance in heterogeneous catalysis.
TiO(2) nanoparticles have been widely utilized in photocatalysis, but the atomic level understanding on their working mechanism falls much short of expectations. In particular, correlation between particle structure and photocatalytic activity is not established yet, although it was observed that sensitive to size shape. This work, by investigating a series anatase with different shape as photocatalyst for water oxidation, correlates quantitatively oxygen evolution reaction (OER). Extensive...
NiFe oxyhydroxide is one of the most promising oxygen evolution reaction (OER) catalysts for renewable hydrogen production, and deciphering identity reactivity intermediates on its surface a key challenge but critical to catalyst design improving energy efficiency. Here, we screened utilized in situ reactive probes that can selectively target specific with high rates investigate OER pathway oxyhydroxide. Most importantly, atom transfer (OAT) (e.g., 4-(diphenylphosphino) benzoic acid) could...
A hierarchical hollow tubular In2O3/ZnIn2S4 heterostructure was rationally designed by growing thin-layered ZnIn2S4 on the surface of carbon-coated In2O3 (C/HT-In2O3) that derived from In-MOF as a photocatalyst for photocatalytic hydrogen evolution (PHE) reaction. The fast interfacial charge transfer and significantly enhanced PHE activity could be ascribed to narrowed band gap C/HT-In2O3 inclined formation staggered between ZnIn2S4. former caused coordinated In–N–In sites revealed EXAFS...
Urea electrolysis is a prospective technology for simultaneous H2 production and nitrogen suppression in the process of water being used energy production. Its sustainability currently founded on innocuous N2 products; however, we discovered that prevalent nickel-based catalysts could generally over-oxidize urea into NO2- products with ≈80 % Faradaic efficiencies, posing potential secondary hazards to environment. Trace amounts over-oxidized NO3- O were also detected. Using 15 N isotopes...
Mimicking natural nitrogenase to create highly efficient single-atom catalysts (SACs) for ambient N2 fixation is desired, but still challenging. Herein, S-coordinated Fe SACs on mesoporous TiO2 have been constructed by a lattice-confined strategy. The extended X-ray absorption fine structure and photoelectron spectroscopy spectra demonstrate that atoms are anchored in lattice via the FeS2 O2 coordination configuration. Theoretical calculations reveal sites active centers electrocatalytic...
The practical application of aqueous zinc-ion batteries (AZIBs) is greatly challenged by rampant dendrites and pestilent side reactions resulting from an unstable Zn–electrolyte interphase. Herein, we report the construction a reliable superstructured solid electrolyte interphase for stable Zn anodes using mesoporous polydopamine (2D-mPDA) platelets as building blocks. shows biomimetic nacre's "brick-and-mortar" structure artificial transmembrane channels hexagonally ordered mesopores in...
Titanium dioxide (TiO2) is a prototype, water-splitting (photo)catalyst, but its performance limited by the large overpotential for oxygen evolution reaction (OER). We report here first-principles density functional theory study of chemical dynamics first proton-coupled electron transfer (PCET), which considered responsible OER on TiO2. use periodic model TiO2/water interface that includes slab anatase TiO2 and explicit water molecules, sample solvent configurations principles molecular...
As a model system of 2-D oxide material, layered δ-MnO2 has important applications in Li ion battery systems. is also widely utilized as precursor to synthesize other stable structure variants the MnO2 family, such α-, β-, R-, and γ-phases, which are 3-D interlinked structures with different tunnels. By utilizing stochastic surface walking (SSW) pathway sampling method, we here for first time resolve atomistic mechanism kinetics layer-to-tunnel transition MnO2, that is, from R-phases. The...
Pt single atoms have unique power in enhancing and accelerating OER active NiOOH phase transformation from NiO.
Seeking for active MnOx material as artificial water splitting catalyst has been a long history since the discovery of PSII system in nature. To date, highest activity reported oxygen evolution reaction (OER) does however not belong to common MnO2 polymorphs (α-, β-, δ-MnO2), but rather nascent δ-MnO2 layer produced situ from spinel under electrochemical conditions with unknown site structure. Here stochastic surface walking (SSW) pathway sampling method, we first time resolve atomic-level...
The NiOOH catalyst as obtained dynamically from electrodeposition of Ni2+(aq) in the borate-containing electrolyte was observed to exhibit much higher oxygen evolution activity at a near-neutral pH range (7–9) compared other NiOx-based materials. Here, we demonstrate that this intriguing high is owing concentration Ni cationic vacancy on nascent ultra-small particles (<3 nm). By using first-principles calculations, compute thermodynamics dissolution and clarify mechanism reaction (OER)...
Abstract Electro‐reforming of renewable biomass resources is an alternative technology for sustainable pure H 2 production. Herein, we discovered unconventional cation effect on the concurrent formate and production via glycerol electro‐reforming. In stark contrast to forming double layers in cathodic reactions, residual cations at anode were interact with oxidation intermediates steer its product selectivity. Through a combination analysis, transient kinetics, crown ether trapping...
The development of a stringent sensor to detect low levels acetone, yielding the potential for point-of-care clinical diagnosis diabetes, is still great challenge but urgently required. Most studies have focused on Ti3C2T x , yet other types MXenes with good performance are rare. Herein, an emerging kind MXene, V4C3T has been prepared from V4AlC3 via selective etching Al layer using aqueous HF at room temperature (RT), and its as acetone presented. A based delivers performance, demonstrated...
NiOOH is one of the most promising catalysts for electrooxidation water and organic molecules. Accompanying long experimental practice to optimize catalyst, atomic simulations, mainly based on density functional theory (DFT) calculations, have been performed in recent years reveal structure reaction mechanism catalysis. Due both structural complexity difficulty computing electronic structure, there are great concerns over accuracy first-principles methods validity models. This Perspective...
Precise synthesis of well-ordered ultrathin nanowire arrays with tunable active surface, though attractive in optoelectronics, remains challenging to date. Herein, well-aligned sub-10 nm TiO2 controllable corrugated structure have been synthesized by a unique monomicelle-directed assembly method. The nanowires an exceptionally small diameter ∼8 abreast grow identical adjacent distance ∼10 nm, forming vertically aligned (∼800 thickness) large surface area ∼102 m2 g-1. consists bowl-like...
Neutral water oxidation is a crucial half-reaction for various electrochemical applications requiring pH-benign conditions. However, its sluggish kinetics with limited proton and electron transfer rates greatly impacts the overall energy efficiency. In this work, we created an electrode/electrolyte synergy strategy simultaneously enhancing transfers at interface toward highly efficient neutral oxidation. The charge was accelerated between iridium oxide in situ formed nickel oxyhydroxide on...