A5101761811- 2D Materials and Applications
- Advanced Thermoelectric Materials and Devices
- High-pressure geophysics and materials
- MXene and MAX Phase Materials
- Rare-earth and actinide compounds
- Boron and Carbon Nanomaterials Research
- Thermal properties of materials
- Perovskite Materials and Applications
- Magnetic and transport properties of perovskites and related materials
- Advanced Chemical Physics Studies
- Metal and Thin Film Mechanics
- Advanced Condensed Matter Physics
- Topological Materials and Phenomena
- Heusler alloys: electronic and magnetic properties
- Intermetallics and Advanced Alloy Properties
- Thermal Expansion and Ionic Conductivity
- Atmospheric Ozone and Climate
- Nuclear Materials and Properties
- Spectroscopy and Quantum Chemical Studies
- Chalcogenide Semiconductor Thin Films
- Graphene research and applications
- Shape Memory Alloy Transformations
- ZnO doping and properties
- Atmospheric chemistry and aerosols
- Semiconductor materials and devices
Chongqing Normal University
2016-2025
Huzhou Vocational and Technical College
2024-2025
Chongqing University
2018-2019
Jilin University
2019
Chinese Academy of Engineering
2008-2015
Institute of Fluid Physics
2008-2015
Sichuan University
2008-2015
Kumamoto University
2015
Chongqing Jiaotong University
2009-2010
Chinese Academy of Sciences
2009
Thermoelectric materials can be used to convert waste heat into electrical energy, which is considered a cleaner form of energy that reduces carbon dioxide and greenhouse gas emissions.
In this paper, the thermoelectric (TE) properties of Janus MXY monolayers (M = Pd, Pt; X, Y S, Se, Te) are systematically studied using first principles and Boltzmann transport theory. The thermal conductivity (k), Seebeck coefficient (S), power factor (PF), TE figure merit (ZT) calculated accurately for various carrier concentrations. lattice conductivities these six materials sequentially decrease in order PtSSe, PtSTe, PtSeTe, PdSSe, PdSTe, PdSeTe. PdSeTe PtSeTe have a high ZT close to...
Motivated by the synthesis of a Janus monolayer, new PtSSe transition-metal dichalcogenide (TMD) have attracted remarkable attention due to their characteristic properties. In this work, we calculated electronic structure, optical properties, and thermal conductivity monolayers, performed detailed comparison with other TMDs (monolayer PtS2 PtSe2) using first-principles calculations. The band gaps PtS2, PtSSe, PtSe2 monolayers were 1.76, 1.38, 1.21 eV, respectively, which are in good...
We report a detailed first-principles calculation to investigate the structures, elastic constants, and phase transition of Ti. The axial ratios both α-Ti ω-Ti are nearly constant under hydrostatic compression, which confirms latest experimental results. From high pressure we find that is unstable when applied pressures larger than 24.2 GPa, but mechanically stable at all range calculated pressure. phonon dispersion curves agree well with experiments. Under captured large softening around Γ...
Schematic of the photocatalytic water splitting AlXY (X = S, Se and Y Cl, Br, I) monolayers.
Strong optical absorption, high carrier mobility, and potential photocatalytic water splitting properties of MSiX (M = Ga, In; X S, Se, Te) monolayers.
Background Teacher burnout is associated with a series of negative outcomes for teachers and children. Previous studies have confirmed the impact teaching mindfulness teacher self-efficacy on burnout, but relationship between them needs further research. Methods This study was conducted in May 2024 572 kindergarten Sichuan Yunnan provinces using Mindfulness Teaching Scale , Sense Self-Efficacy Burnout SPSS software descriptive statistical analysis, R network analysis. Results The...
Although alienation toward parents is important for children (for current mental health status or later interpersonal relationships in adulthood), it undervalued and even lacks a standardized tool of assessment. Moreover, the large number left-behind China cause public concern. However, their experienced remains unclear, which may be early detection intervention behavioral problems this population. Hence, study aimed to develop an inventory then use investigate Chinese children.Two studies...
The structural, electronic, and magnetic properties of vanadium disulfide VS2 monolayers were investigated using first-principles calculations Monte Carlo (MC) simulations. results molecular dynamics simulations phonon dispersion showed that the monolayer has good dynamic thermodynamic stabilities. Based on band structure, we also explore effect carrier concentrations spin gap, polarization direction easy axis. Our demonstrated doping an appropriate amount holes can cause reversal axis...
We propose selection rules for four-phonon (4ph) scattering that clarify the predominance of redistribution process. The cutoff frequencies specific channels are identified, with their feasibility determined by magnitude a-o gap. obtain substantive evidence to support fact enhancement 4ph is due flat phonon dispersion. An extremely strong intraband in ZA branch identified beyond expectation. same enhancing effect can manifest between homothetic branches as an mechanism interband scattering....
We calculated the phase transition, elastic constants, full phonon dispersion curves, and thermal properties of molybdenum (Mo) for a wide range pressures using density functional theory. Mo is stable in body-centered-cubic (bcc) structure up to 703 +/- 19 GPa then transforms face-centered close-packed (fcc) at zero temperature. Under high temperature pressure, fcc more than bcc phase. The curves accord excellently with experiments. we captured large softening along H-P TA branches. When...
We have identified a class of two-dimensional ferroelastic monolayers, denoted as InXY (where X = S, Se; Y Cl, Br, I), through first-principles calculations. The dynamic, thermal, and mechanical stabilities these monolayers are validated by phonon dispersion spectra, AIMD calculations, elastic constants, respectively. These exhibit semiconducting behavior with bandgaps ranging from 1.94 to 2.85 eV possess excellent ferroelasticity strong signals moderate switching barriers. Notably, the band...
Accurate effective mass via precise 3D-band calculations of two new 2D semiconductors Bi 2 SSe and S Se with high optical absorption.
Janus transition metal dichalcogenide monolayers (TMDs) have attracted wide attention due to their unique physical and chemical properties since the successful synthesis of MoSSe monolayer. However, related studies halides (TMHs) with similar structures rarely been reported. In this article, we systematically investigate electronic properties, piezoelectric optical carrier mobility new TiXY (X ≠ Y, X/Y = Cl, Br, I) using first principles calculations for time. These are thermally,...
The melting curve of NiTi alloy was predicted by using molecular dynamics simulations combining with the embedded atom model potential. calculated thermal equation state consists well our previous results obtained from quasiharmonic Debye approximation. Fitting well-known Simon form to Tm data yields curves for NiTi: 1850(1 + P/21.938)0.328 (for one-phase method) and 1575(1 P/7.476)0.305 two-phase method). can effectively eliminate superheating in simulations. At 1 bar, temperature is 1575 ±...