A5008331796- 2D Materials and Applications
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Advanced Photocatalysis Techniques
- MXene and MAX Phase Materials
- Perovskite Materials and Applications
- High-Temperature Coating Behaviors
- Chalcogenide Semiconductor Thin Films
- Electrocatalysts for Energy Conversion
- Intermetallics and Advanced Alloy Properties
- Semiconductor materials and devices
- High Entropy Alloys Studies
- Advancements in Semiconductor Devices and Circuit Design
- Rare-earth and actinide compounds
- Graphene research and applications
- Advancements in Battery Materials
- Quantum Dots Synthesis And Properties
- Catalytic Processes in Materials Science
- Electronic and Structural Properties of Oxides
- Semiconductor materials and interfaces
- Advanced Battery Materials and Technologies
- Metallurgical and Alloy Processes
- Thermodynamic and Structural Properties of Metals and Alloys
- High-pressure geophysics and materials
- Quantum and electron transport phenomena
Fuzhou University
2016-2025
Materials Science & Engineering
2017-2025
Zhejiang Energy Group (China)
2024
Central South University
2022-2024
Xi'an Aeronautical University
2021-2023
Jimei University
2023
Beijing University of Technology
2022-2023
Guangzhou Medical University
2016-2020
University of Kassel
2009
Huazhong University of Science and Technology
2009
Abstract As a fast emerging topic, van der Waals (vdW) heterostructures have been proposed to modify two-dimensional layered materials with desired properties, thus greatly extending the applications of these materials. In this work, stacking characteristics, electronic structures, band edge alignments, charge density distributions and optical properties blue phosphorene/transition metal dichalcogenides (BlueP/TMDs) vdW were systematically studied based on corrected functional theory....
The idea of forming van der Waals (vdW) heterostructures by integrating various two-dimensional materials breaks the limitation restricted properties single material systems. In this work, electronic structure modulation, stability, entire stress response and Li adsorption combining blue phosphorene (BlueP) MS2 (M = Nb, Ta) together were systematically investigated using first-principles calculations based on vdW corrected density functional theory. We revealed that BlueP/MS2 possess good...
Multiferroic materials have great potential in non-volatile devices for low-power and ultra-high density information storage, owing to their unique characteristic of coexisting ferroelectric ferromagnetic orders. The effective manipulation intrinsic anisotropy makes it promising control multiple degrees the storage "medium". Here, we discovered intriguing in-plane electrical magnetic anisotropies van der Waals (vdW) multiferroic CuCrP2S6. uniaxial current rectifications, properties magnon...
The InSe-family monolayers exhibit high electron mobility, small exciton binding energy, and distinguished optical responses under visible-light irradiation.
In this work, we introduce a series of two dimensional (2D) group IV chalcogenides (AX)2 with the building block X-A-A-X (A = Si, Ge, Sn, and Pb, X Se Te) on basis ab initio calculations. The analysis energy evaluation, lattice vibration as well chemical bonding demonstrate good stability these 2D materials. Furthermore, pictures for electronic features are drawn. Their narrow gapped semiconducting nature is unraveled. Especially, strong interactions between electrons phonons topological...
Abstract Developing Ohmic contact systems or achieving low resistance is significant for high‐performance semiconductor devices. This work comprehensively investigates the interfacial properties of CrX 2 N 4 (X = C, Si) based field‐effect transistors (FETs) with different metal (Ag, Au, Cu, Ni, Pd, Pt, Ti, and graphene) electrodes by using electronic structure calculations quantum transport simulations. It highlighted that stronger interlayer coupling allows CrC to form an n‐type Ti...
WTe 2 /InSe is a direct Z-scheme vdW heterostructure for water splitting. The Te-vacancy can effectively lower the energy of HER, and overall splitting proceed spontaneously on surface when pH > 7.
Artificial monolayer black phosphorus, so-called phosphorene, has attracted global interest with its distinguished anisotropic, optoelectronic, and electronic properties. Here, we unraveled the shear-induced direct-to-indirect gap transition anisotropy diminution in phosphorene based on first-principles calculations. Lattice dynamic analysis demonstrates that can sustain up to 10% applied shear strain. The bandgap of experiences a direct-to- indirect when 5% strain is applied. origin from...
Valleytronics, utilizing the valley degree of freedom in electrons, has potential for advancing next-generation nonvolatile storage. However, practical implementation remains challenging due to limited control over valleytronic properties. Here, we propose ferroelectric HfCl2/Sc2CO2 van der Waals heterostructure as a platform overcome these limitations, enabling tunable and behaviors. Our findings show that electric polarization state Sc2CO2 monolayer governs electronic properties...
As the most representative and widely utilized hole transport material (HTM), spiro-OMeTAD encounters challenges including limited mobility, high production costs, demanding synthesis conditions. These issues have a notable impact on overall performance of perovskite solar cells (PSCs) based hinder its large-scale commercial application. Consequently, there exists strong demand for high-throughput computational design novel small-molecule HTMs (SM-HTMs) that are cost-effective, easy to...