Electronic properties of MoS2 on monolayer, bilayer and bulk SiC: A density functional theory study
| Autor: | Wei Geng, Xiaojun Yao, Wenyan Zan, Huanxiang Liu |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Materials science
business.industry Mechanical Engineering Bilayer Binding energy Metals and Alloys Nanotechnology Heterojunction 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences chemistry.chemical_compound Semiconductor chemistry Mechanics of Materials 0103 physical sciences Monolayer Materials Chemistry Silicon carbide Optoelectronics Density functional theory 010306 general physics 0210 nano-technology business Molybdenum disulfide |
| Zdroj: | Journal of Alloys and Compounds. 666:204-208 |
| ISSN: | 0925-8388 |
| DOI: | 10.1016/j.jallcom.2016.01.108 |
| Popis: | The structure and electronic properties of MoS 2 and SiC (single-layer SiC, double layer SiC, C-terminated SiC and Si-terminated SiC) composites were investigated by using density functional theory calculations. The calculation results show that the electronic properties of MoS 2 are modified at different levels by combining with different thickness of SiC. The heterostructures (MoS 2 /C-terminated SiC and MoS 2 /Si-terminated SiC) possess larger binding energies than MoS 2 /single-layer SiC and MoS 2 /bilayer SiC, suggesting the higher stability for MoS 2 /C-terminated SiC and MoS 2 /Si-terminated SiC composites. It is found that charge transfer is from SiC to MoS 2 in these heterostructures. MoS 2 /single-layer SiC, MoS 2 /double-layer SiC and MoS 2 /C-terminated SiC are semiconductors, whereas MoS 2 /Si-terminated SiC has no gap. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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