Novel electronic properties of a new MoS 2 /TiO 2 heterostructure and potential applications in solar cells and photocatalysis
| Autor: | Wende Cheng, Congzhong Cai, Chengjun Zhao, Wen Xiong, Yonghong Gu, Yanhua Li |
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| Rok vydání: | 2017 |
| Předmět: |
Materials science
Quantum heterostructure Superlattice General Physics and Astronomy 02 engineering and technology Electronic structure Double heterostructure 010402 general chemistry 01 natural sciences law.invention Condensed Matter::Materials Science symbols.namesake law Solar cell Physics::Atomic and Molecular Clusters business.industry Heterojunction Surfaces and Interfaces General Chemistry Condensed Matter::Mesoscopic Systems and Quantum Hall Effect 021001 nanoscience & nanotechnology Condensed Matter Physics 0104 chemical sciences Surfaces Coatings and Films symbols Spin Hall effect Optoelectronics van der Waals force 0210 nano-technology business |
| Zdroj: | Applied Surface Science. 414:34-40 |
| ISSN: | 0169-4332 |
| Popis: | The structural and electronic properties of two-dimensional (2D) MoS2/TiO2 heterostructure with a special configuration of Moire pattern have been investigated for the first time using first-principles methods with van der Waals correction. It is found that the new van der Waals heterostructure is of a type-II band alignment between the MoS2 and TiO2 layers, and the electronic structures of monolayer MoS2 and 2D TiO2 are well retained in their respective layers due to a weak interlayer coupling, which suggests that the heterostructure may have potential applications in many fields such as photoelectric devices, photocatalysis, energy conversion and storage, etc. Meanwhile, the heterostructure can also provide an ideal platform of two-dimensional electron gas (2DEG) and two-dimensional hole gas (2DHG) for fundamental research such as spin Hall effect, etc. In addition, it is discovered that the corresponding MoS2/TiO2 superlattice also has similar electronic properties to MoS2/TiO2 bilayer heterostructure. Furthermore, two novel design schemes based on the MoS2/TiO2 heterostructure and superlattice are proposed for a solar cell and photocatalyst, respectively. |
| Databáze: | OpenAIRE |
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