A5101917710- 2D Materials and Applications
- MXene and MAX Phase Materials
- Graphene research and applications
- Perovskite Materials and Applications
- Topological Materials and Phenomena
- Quantum and electron transport phenomena
- Chalcogenide Semiconductor Thin Films
- Boron and Carbon Nanomaterials Research
- Quantum Dots Synthesis And Properties
- ZnO doping and properties
- Magnetic properties of thin films
- Molecular Junctions and Nanostructures
- Heusler alloys: electronic and magnetic properties
- Advanced Thermoelectric Materials and Devices
- Semiconductor Quantum Structures and Devices
- Gas Sensing Nanomaterials and Sensors
- Ferroelectric and Negative Capacitance Devices
- Magnetic and transport properties of perovskites and related materials
- GaN-based semiconductor devices and materials
- Nanowire Synthesis and Applications
- Metal and Thin Film Mechanics
- Ga2O3 and related materials
- Diamond and Carbon-based Materials Research
- Advanced Memory and Neural Computing
- Multiferroics and related materials
Henan Normal University
2016-2025
Northwestern Polytechnical University
2024
Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai)
2024
Ministry of Natural Resources
2024
Sun Yat-sen University
2023-2024
Southern Marine Science and Engineering Guangdong Laboratory (Guangzhou)
2024
Solar Energy Research Institute of Sun Yat-sen University
2023
First Affiliated Hospital of Xi'an Jiaotong University
2022
Xinxiang University
2014-2020
State Council of the People's Republic of China
2018
Due to mirror symmetry breaking, two-dimensional Janus transition metal dichalcogenides $MXY$ ($M=\text{Mo,W}$; $X,Y=\text{S,Se,Te}$) present charming electronic properties. However, there have not been many related studies as of yet, and the intrinsic physical pictures are unclear. Here, we use first-principles calculations explore universality characteristics photocatalyst applications $MXY$, finding that induced dipole moment, vibrational frequency, Rashba parameters, direct-indirect band...
Toxic gaseous SO2 adsorption on O-terminated M2CO2 (M = Sc, Hf, Zr, and Ti) monolayers has been studied by means of first-principle calculations. It is demonstrated that monolayer Sc2CO2 most preferred for the molecule with suitable strength apparent charge transfer. Moreover, electronic conductivity displays a sharp increase after SO2. In particular, can be further enhanced or weakened applying tensile strains controlling external fields, which greatly desirable to realize capture...
The electronic characteristics of arsenene-graphene van der Waals (vdW) heterostructures are studied by using first-principles methods. results show that a linear Dirac-like dispersion relation around the Fermi level can be quite well preserved in vdW heterostructures. Moreover, p-type Schottky barrier (0.18 eV) to n-type (0.31 transition occurs when interlayer distance increases from 2.8 4.5 Å, which indicates tuned effectively
The tri-molecular E–R mechanism (2CO + O<sub>2</sub>→ OCO–OCO → 2CO<sub>2</sub>) is more preferable than the normal L–H and mechanisms.
A family of $M{A}_{2}{Z}_{4}$ materials has recently inspired great interest due to its exotic geometry and intriguing electronic properties. Here we investigate the transport photoelectric properties ${\mathrm{Mo}\mathrm{Si}}_{2}{\mathrm{P}}_{4}$ monolayer (MSP ML) that a small direct gap using first-principles calculations. We design several model nanodevices based on MSP ML, including p-n junction diodes, p-i-n field-effect transistors, transistors. demonstrate these MSP-ML-based yield...
Custom-made stacks of two-dimensional materials can be constructed to achieve specific optoelectronic properties in devices. This work uses density functional theory investigate the electronic structures and transport phosphorene--tin-dichalcogenide van der Waals heterostructures an external electric field. The results show that these systems exhibit rare type-III (broken-gap) band alignment, which will facilitate development tunnel field-effect transistors. Moreover, alignment tuned...
Using first-principle atomistic simulations, we focused on the electronic structures of small gas molecules (CO, H<sub>2</sub>O, NH<sub>3</sub>, NO, and NO<sub>2</sub>) adsorbed S-vacancy SnS<sub>2</sub> monolayer.
The two-dimensional intrinsic ferromagnet $\mathrm{Cr}\mathrm{S}\mathrm{Cl}$ monolayer has considerable potential for application in the development of spintronic devices because properties such as robust ferromagnetic ordering, large spin polarization, high Curie temperature, and carrier mobilities. Here, we investigate electromagnetic spin-transport some conceptual magnetic construct, p-n-junction diodes, field-effect transistors, phototransistors, by means first-principles calculations....
Currently, the spectra-based physical models and deep learning methods are frequently used to detect wildfires from remote sensing data. However, algorithms mainly rely on radiative transfer processes, which limit their effectiveness in detecting small weak fires. On other hand, usually lack mechanism constraints, thus generally resulting false alarms of bright surfaces. It is promising combine advantages them correspondingly reduce inherent error a single algorithm. To this end, paper, both...
Based on first-principles calculations, the electronic structures and magnetism are investigated in 3d transition metal (TM)-embedded porous two-dimensional (2D) C2N monolayers. Numerical results indicate that except Mn Co atoms, other TM atoms can be embedded stably 2D monolayer. Moreover, magnetic moments of TM-embedded monolayer depend highly atomic number atoms. The Sc, Ti, V, Cr, Mn, Fe, Ni atom-embedded monolayers possess a ferromagnetic ground state, while embedding Cu induce...
TMDs-based vdW semiconducting heterostructures have stable ferromagnetic (FM) ground state, high Curie temperatures and electric field-tunable multi-band alignments.
In a fast developing field, it has been found that van der Waals heterostructures can overcome the weakness of single two-dimensional layered materials and extend their electronic optoelectronic applications. Through first-principles methods, studied MoS2/stanene heterostructure preserves high-speed carrier characteristics opens direct band gap. Simultaneously, alignment shows electrons transfer from stanene to MoS2, which forms an internal electric field. As effective strategy, out-of-plane...
The electronic and magnetic properties of n- p-type impurities by means group V VII atoms substituting sulfur in a MoS<sub>2</sub> monolayer were investigated using first-principles methods based on density functional theory.
Two-dimensional (2D) metal-diboride ZrB2 monolayers was predicted theoretically as a stable new electronic material (Lopez-Bezanilla 2018 Phys. Rev. Mater. 2 011002). Here, we investigate its transport properties along the zigzag (z-ZrB2) and armchair (a-ZrB2) directions, using density functional theory non-equilibrium Green's function methods. Under low biases, 2D shows similar electrical directions electric current propagates mostly via metallic Zr–Zr bonds. However, it an anistropy under...
SOC effects open the band gaps of stanene sheets and ZSnNRs, but reduce ASnNRs.
A gas sensor of common molecules, such as CO, H<sub>2</sub>O, NH<sub>3</sub>, O<sub>2</sub>, NO and NO<sub>2</sub> on a WSe<sub>2</sub> monolayer is investigated systematically by using first-principle calculations.