A5101591008- 2D Materials and Applications
- Multiferroics and related materials
- Advanced Photocatalysis Techniques
- Ferroelectric and Piezoelectric Materials
- MXene and MAX Phase Materials
- Magnetic and transport properties of perovskites and related materials
- ZnO doping and properties
- Dielectric properties of ceramics
- Electrocatalysts for Energy Conversion
- Perovskite Materials and Applications
- Magnetic Properties and Synthesis of Ferrites
- Quantum Dots Synthesis And Properties
- Copper-based nanomaterials and applications
- Gas Sensing Nanomaterials and Sensors
- Electronic and Structural Properties of Oxides
- Microwave Dielectric Ceramics Synthesis
- Hydrogen Storage and Materials
- Graphene research and applications
- Supercapacitor Materials and Fabrication
- Advanced Thermoelectric Materials and Devices
- Magneto-Optical Properties and Applications
- Thermochemical Biomass Conversion Processes
- Coal Properties and Utilization
- Advanced battery technologies research
- Catalytic C–H Functionalization Methods
Anyang Normal University
2016-2025
Zhejiang University
2023
Queensland University of Technology
2019-2021
Virginia Tech
2021
Sun Yat-sen University
2019
Shandong University
2011-2018
State Key Laboratory of Crystal Materials
2017-2018
Anyang Institute of Technology
2015-2018
West Virginia University
2015-2016
State Council of the People's Republic of China
2016
Photocatalytic water splitting is a promising technology to solve the energy crisis and provide renewable clean energies. Recently, although numerous 2D materials have been proposed as photocatalytic candidates, strategies effectively modulate reactions conversion efficiency are still lacking. Herein, based on first-principles calculations, we show that activities can be well tuned by ferroelectric–paraelectric phase transition of AgBiP2Se6 monolayer. It found monolayer has higher potential...
Stable photocatalysts with excellent optical adsorption and low reaction barrier are the key for water splitting. Here, we find that a two-dimensional Janus WSSe monolayer possesses compelling photocatalytic properties from density functional theory simulations, which can be well modulated strain deformation. Comprehensive investigations indicate material not only exhibits strong absorbance in visible spectrum, suitable band edge potentials, high carrier separation, transfer efficiency but...
Abstract Efficient and selective CO 2 electroreduction into chemical fuels promises to alleviate environmental pollution energy crisis, but it relies on catalysts with controllable product selectivity reaction path. Here, by means of first-principles calculations, we identify six ferroelectric comprising transition-metal atoms anchored In Se 3 monolayer, whose catalytic performance can be controlled switching based adjusted d -band center occupation supported metal atoms. The polarization...
Abstract Janus two-dimensional (2D) materials, referring to the layers with different surfaces, have attracted intensive research interest due unique properties induced by symmetry breaking, and promising applications in energy conversion. Based on successful experimental synthesis of transition metal dichalcogenides (TMDC), here we present a review their potential application photocatalytic overall water splitting, from perspectives latest theoretical progress. Four aspects which are...
Titanium nitride halide TiNX (X = F, Cl, Br) monolayers for highly efficient excitonic solar cells.
Photocatalytic and electrocatalytic reactions to produce value-added chemicals offer promising solutions for addressing the energy crisis environmental pollution. Photocatalysis is driven by light excitation charge separation relies on semiconducting catalysts, while electrocatalysis external electric current mostly based metallic catalysts with high electrical conductivity. Due distinct reaction mechanism, conversion between two catalytic types has remained largely unexplored. Herein, means...
Harnessing solar energy to produce hydrogen through semiconductor-mediated photocatalytic water splitting is a promising avenue address the challenges of scarcity and environmental degradation. Ever since Fujishima Honda’s groundbreaking work in splitting, titanium dioxide (TiO2) has garnered significant interest as semiconductor photocatalyst, prized for its non-toxicity, affordability, superior activity, robust chemical stability. Nonetheless, efficacy conversion hampered by TiO2’s wide...
The first copper-catalyzed oxidative decarboxylative C–H arylation is reported, enabling the direct synthesis of arylated benzoxazoles from 2-nitrobenzoic acids.
Utilizing hydrogen as a viable substitute for fossil fuels requires the exploration of storage materials with high capacity, quality, and effective reversibility at room temperature. In this study, stability capacity in Sc-modified C3N4 nanotube are thoroughly examined through application density functional theory (DFT). Our finding indicates that strong coupling between Sc-3d orbitals N-2p stabilizes temperature (500 K), migration barrier (5.10 eV) adjacent Sc atoms prevents creation metal...
Nanocrystalline Na0.5Bi0.5TiO3 was prepared by sol-gel method. The nanocrystalline plates present room temperature ferromagnetism (FM). reduction of FM for the plate with subsequent long time and high air-annealing indicating that observed is connected vacancies at/near surface nanograins. For powders after annealing at 900 °C in air, a vacuum 20 min weakens room-temperature FM, but oxygen atmosphere enhances which means may originate from cation vacancy results density functional theory...
Ni doped CaCu<sub>3</sub>Ti<sub>4</sub>O<sub>12</sub> ceramics (CaCu<sub>3−x</sub>Ni<sub>x</sub>Ti<sub>4</sub>O<sub>12</sub>, <italic>x</italic> = 0, 0.05, 0.1, 0.2) were prepared by a sol–gel method and the influence on microstructure, dielectric properties impedance spectroscopy has been investigated.
As is well known, NO2 adsorption plays an important role in gas sensing and treatment because it expands the residence time of compounds to be treated plasma–catalyst combination. In this work, behaviors mechanism over pristine Se-vacancy defect-engineered WSSe monolayers have been systematically investigated using density functional theory (DFT). The energy calculation reveals that introducing Se vacancy acould result a physical-to-chemical transition for system. vacancy, most possible...
Heterogeneous electrocatalysis closely relies on the electronic structure of catalytic materials. The ferroelectric-to-paraelectric phase transition materials also involves a change in state electrons that could impact electrocatalytic activity, but such correlation remains unexplored. Here, we demonstrate experimentally and theoretically intrinsic activity be regulated as exampled by hydrogen evolution reaction catalysis over two-dimensional ferroelectric CuInP
We carry out our first-principles calculations within density functional theory to study the 3d transition metal (TM) doped AlN nanosheets. The calculated results indicate that a stoichiometric nanosheet is graphene-like structure and nonmagnetic. TM impurities can induce magnetic moments, localized mainly on atoms neighboring N atoms. Our of TM-doped systems strong interaction between orbit atom 2p In addition, Mn- Ni-doped with half-metal characters seems be good candidates for spintronic...