A5103065137- 2D Materials and Applications
- MXene and MAX Phase Materials
- Boron and Carbon Nanomaterials Research
- Metal and Thin Film Mechanics
- Graphene research and applications
- Advancements in Battery Materials
- Advanced Thermoelectric Materials and Devices
- Ferroelectric and Piezoelectric Materials
- Advanced ceramic materials synthesis
- Diamond and Carbon-based Materials Research
- Advanced Photocatalysis Techniques
- ZnO doping and properties
- Multiferroics and related materials
- Electrocatalysts for Energy Conversion
- Thermal properties of materials
- Chalcogenide Semiconductor Thin Films
- GaN-based semiconductor devices and materials
- Advanced Battery Materials and Technologies
- Ga2O3 and related materials
- High-pressure geophysics and materials
- Advanced materials and composites
- Microwave Dielectric Ceramics Synthesis
- Catalytic Processes in Materials Science
- Heusler alloys: electronic and magnetic properties
- Acoustic Wave Resonator Technologies
Yibin University
2023-2025
Chengdu University of Information Technology
2015-2024
Southeast University
2024
North Sichuan Medical University
2023
Xi’an University
2018-2021
Xi'an University of Technology
2018-2021
China XD Group (China)
2020
Chengdu University
2015-2019
State Council of the People's Republic of China
2015-2017
Institute of Solid State Physics
2008
Abstract Heterostructure construction is an efficient method for reinforcing K + storage of transition metal selenides. The spontaneously developed internal electric fields give a strong boost to charge transport and significantly reduce the activation energy. Nevertheless, perfection interfacial region based on energy level gradient lattice matching degree still great challenge. Herein, rich vacancies ultrafine CoSe 2 –FeSe heterojunctions with semicoherent phase boundary are simultaneously...
Coordination-related, 2D structural phase transitions are a fascinating facet of materials with degeneracy. Phosphorene and its new phases, exhibiting unique electronic properties, have received considerable attention. The group IV–IV monochalcogenides (i.e. GeS, GeSe, SnS SnSe) like black phosphorous possess puckered layered orthorhombic structure. advantages earth-abundance, less toxicity, environmental compatibility chemical stability, can be widely used in optoelectronics,...
Motivated by the observation that many known layered chalcogenides show promising thermoelectric properties, we investigate similar properties of SnSe2 solving Boltzmann transport equation for both lattice and electron. A self-consistent single parabolic band model (SPB) is employed to compute electron relaxation time rigorously. The obtained intrinsic thermal conductivities in a c directions are 6.78 0.79 W/m·K at 300 K. results acoustic phonon branches play dominant role heat transport....
Single-atom catalysts have attracted wide attention due to the maximum usage of single atom and great potential achieve high activity selectivity. The oxidation CO molecules on Ir embedded graphdiyne (Ir-GDY) has been investigated by using first-principles calculations. A variety reaction mechanisms are taken into account a new pathway is found catalyze more efficiently Ir-GDY. comparison energy barrier shows that likely occurs in Eley–Rideal (NER) mechanism rather than traditional...
The electronic and optical properties of alkali-metal-adsorbed graphene-like gallium nitride (g-GaN) have been investigated using density functional theory. results denote that g-GaN systems are stable compounds, with the most adsorption site being center hexagonal ring. In addition, because charge transfer from alkali-metal atom to host, layer shows clear n-type doping behavior. alkali metal atoms on occurs via chemisorption. More importantly, work function is substantially reduced...
The thermal properties of 2H-MT<sub>2</sub> (M = W/Mo, T S/Se) structures are calculated using the quasi-harmonic approximation based on phonon spectra.
Using SCAN-rVV10+U, we show Cr2TiC2 and Cr2TiC2T2 (T = -F -OH) MXenes are moderate band gap semiconductors mostly in the antiferromagnetic state. All investigated MXene structures large Seebeck coefficients (>400 μV/K), especially (>800 μV/K) Cr2TiC2F2 (>700 μV/K). The hole relaxation time of p-type Cr2TiC2(OH)2 is found to be ∼8 ps, ensuring its superior electron transport properties comparison other MXenes. It also discovered that surface functionalization could decrease phonon thermal...
δ-InP<sub>3</sub> monolayer possesses high electronic mobility and worthwhile sensing performance toward N-based gases (particularly NO<sub>2</sub>).
Abstract Utilizing first principle calculations, a novel Si 64 silicon allotrope in the I 4 1 / amd space group with tetragonal symmetry (denoted as t ‐Si below) is proposed this work. In addition, also its structural, anisotropic mechanical, and electronic properties along minimum thermal conductivity κ min were predicted. The mechanical thermodynamic stability of evaluated by means elastic constants phonon spectra. band structure indicates that an indirect gap semiconductor gap: 0.67 eV...
In this paper, we report a theoretical investigation of the electronic structures, electron/phonon transport properties, and electrochemical parameters C2N/graphene bilayer. The p-type bilayer, with direct band gap 0.2 eV at Γ-point, exhibits promising electric conductivity similar to that graphene monolayer. addition, it also shows excellent lattice thermal 1791.1 W/m·K, compared 82.22 W/m·K C2N capacity in Li-ion batteries is found be 490.0 mA h/g. For Li diffusion, energy barriers for...
We perform first-principles molecular dynamics (FPMD) simulations together with a CI-NEB method to explore the structure, electrochemical properties and diffusion of C2N monolayer saturated various univalent, bivalent trivalent metal ions. A characteristic irregular adsorption structure consisting an inner coplanar layer at large atomic pore loosely bound outer is discovered for all six types The predicted specific capacities mean open circuit voltages (OCVs) them are: 600 mA h g-1, 0.26 V...