A5101853383- 2D Materials and Applications
- MXene and MAX Phase Materials
- Chalcogenide Semiconductor Thin Films
- Diamond and Carbon-based Materials Research
- Perovskite Materials and Applications
- Graphene research and applications
- Carbon Nanotubes in Composites
- Quantum Dots Synthesis And Properties
- Advancements in Battery Materials
- Thin-Film Transistor Technologies
- Smart Agriculture and AI
- Impact of Light on Environment and Health
- Nanowire Synthesis and Applications
- Optical Wireless Communication Technologies
- Gas Sensing Nanomaterials and Sensors
- Silicon and Solar Cell Technologies
- Heusler alloys: electronic and magnetic properties
- Mechanical and Optical Resonators
- Robotics and Automated Systems
- Water Quality Monitoring Technologies
- Additive Manufacturing and 3D Printing Technologies
- Advanced Thermoelectric Materials and Devices
- Advanced Algorithms and Applications
- Advanced Sensor and Control Systems
- ZnO doping and properties
North Minzu University
2016-2024
Henan Normal University
2010-2023
Xinxiang University
2017
University of Chinese Academy of Sciences
2009-2013
Institute of Earth Environment
2013
Chinese Academy of Sciences
2010-2012
Xi'an Jiaotong University
2010
Based on density functional theory, the characteristics of n- and p-type impurities are investigated firstly by means group V VII atoms substituting sulfur in SnS2 monolayer nanosheets. Numerical results show that formation energy transition levels depend highly atomic size electronegativity impurity atom. The energies increase with increasing atom for each considered doping case. For atom-doped nanosheet systems, calculations level indicate N, P or As is not effective conductivity. However,...
The characteristics are investigated in the p-type Mg-doped GaS and GaSe nanosheets by means of first-principles calculations, showing that with increasing Mg doping concentration, formation energy increases while transition level decreases. Moreover, impurity can create a shallower acceptor nanosheet than nanosheet. In particular, is 39.3 meV when concentration 0.056 nanosheets, which indicates offer effective carriers nanosheets.
Using a first-principles method, based on the Vienna Ab-initio Simulation Package (VASP), we have studied electronic structure, formation energy and transition level of MoSe<sub>2</sub> monolayer doped with V VII atoms.
The performance of silicene/boron nitride heterostructure as anode material in lithium-ion batteries (LIBs) has been investigated by first-principles calculations. From the interfacial synergy effect, an enhanced adsorption Li ions on BN is found resulted compared with pristine system. Also, lowered diffusion barriers are BN/Li/silicene and BN/silicene/Li systems silicene In addition, silicene/BN system can achieve high storage capacity a maximum value reaching 1015 mA h g
The magnetism of the SnS monolayer can be tailored by 3D TM-atoms-surface absorption.
By performing first-principles calculations, we explore the structural, electronic and magnetic properties of 3d transition metal (TM) atom-doped 1T-HfSe<sub>2</sub> monolayers.
High pressure X-ray diffraction experiments on mimetite [Pb5(AsO4)3Cl] and pyromorphite [Pb5(PO4)3Cl] were performed up to 14.1 14.9 GPa, respectively, at 300 K, using in situ angle-dispersive a diamond anvil cell. No phase transition of was observed within the experimental range. Fitting P–V data under hydrostatic stress conditions with third-order Birch–Murnaghan Equations State (BM-EoS) we obtained: K 0=46(7) V 0=680(2) Å3, 0′=15(4) for mimetite; 0=44(5) 0=636(1) 0′=15(3) pyromorphite....