A5011897210- Graphene research and applications
- 2D Materials and Applications
- MXene and MAX Phase Materials
- Gas Sensing Nanomaterials and Sensors
- Advancements in Battery Materials
- Supercapacitor Materials and Fabrication
- Boron and Carbon Nanomaterials Research
- Carbon Nanotubes in Composites
- Topological Materials and Phenomena
- Advanced Photocatalysis Techniques
- Perovskite Materials and Applications
- Quantum and electron transport phenomena
- Hydrogen Storage and Materials
- Transition Metal Oxide Nanomaterials
- Advanced battery technologies research
- ZnO doping and properties
- Graphene and Nanomaterials Applications
- Nanocluster Synthesis and Applications
- Heusler alloys: electronic and magnetic properties
- Tribology and Lubrication Engineering
- Semiconductor materials and interfaces
- Analytical Chemistry and Sensors
- Diamond and Carbon-based Materials Research
- Chalcogenide Semiconductor Thin Films
- Machine Learning in Materials Science
Henan University of Science and Technology
2016-2025
Thang Long University
2025
Luoyang Institute of Science and Technology
2016-2024
Sichuan University
2013-2021
Nanjing University of Aeronautics and Astronautics
2021
Guangxi University
2019-2020
State Council of the People's Republic of China
2016-2020
Shizuoka University
2019
China Academy of Engineering Physics
2013-2015
Laser Fusion Research Center
2014
Motivated by the recent realization of two-dimensional nanomaterials as gas sensors, we have investigated adsorption molecules (SO<sub>2</sub>, NO<sub>2</sub>, HCN, NH<sub>3</sub>, H<sub>2</sub>S, CO, NO, O<sub>2</sub>, H<sub>2</sub>, CO<sub>2</sub>, and H<sub>2</sub>O) on graphitic GaN sheet (PL-GaN) using density functional theory calculations.
Using density functional theory calculations, the adsorption of gaseous molecules (NO, NO2, NH3, SO2, CO, HCN, O2, H2, N2, CO2, and H2O) on graphitic SiC monolayer bilayer has been investigated to explore possibilities in gas sensors for NO, NH3 detection. The strong NO2 SO2 precludes its applications nitride sensors. gases NH3) are chemisorbed with moderate energies apparent charge transfer, while other all physisorbed. Further, can effectively weaken strength molecules, that is, only...
Properties of gas molecules (NO, NH3, and NO2) adsorbed on two-dimensional GaN with a tetragonal structure (T-GaN) are studied using first-principles methods. Adsorption energy, adsorption distance, Hirshfeld charge, electronic properties, electric conductivity, recovery time calculated. It is found that these three all chemisorbed the T-GaN reasonable energies apparent charge transfer. The properties present dramatic changes after NO2 NO molecules, especially its but NH3 molecule hardly...
Herein, density functional theory (DFT) calculations were performed to investigate the adsorption of a H<sub>2</sub>S molecule on surface hydrogenated graphene (graphane).
We systemically investigate the effect of dopants on geometrics, electronic and magnetic properties asymmetric washboard structure antimonene (aW-Sb) by using density functional theory (DFT) calculations. The large binding energies short bond lengths indicate doped systems still maintain high stability. Pristine aW-Sb is a nonmagnetic semiconductor with narrow band gap, while exhibit metallic doping. Furthermore, Ti, V, Cr, Mn Fe doping induced states, result spin indicates that moments are...