Transport properties and thermoelectric properties of two-dimensional PtS2 monolayer: First-principle study
| Autor: | Xiao-Chong Liang, Yingchun Ding, Jun Zhu, Xiu-Jun He, Yan-Jun Hao |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Materials science
Condensed matter physics Strain (chemistry) First principle study 02 engineering and technology Electric transport 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Thermoelectric materials 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Electronic Optical and Magnetic Materials Waste heat recovery unit Monolayer Thermoelectric effect Density functional theory 0210 nano-technology |
| Zdroj: | Physica E: Low-dimensional Systems and Nanostructures. 132:114744 |
| ISSN: | 1386-9477 |
| Popis: | Thermoelectric material is a new type of functional material for directly converting heat energy into electric energy, which has an important application prospect in the fields of new energy generation and waste heat recovery. In this paper, the thermoelectric properties of two-dimensional PtS 2 are researched under different strain based on density functional theory calculations. The ZT was obtained by calculating thermal transport properties and electric transport properties. The largest ZT value of Penta-PtS 2 for p-type and n-type are 0.29 and 0.56 respectively under strain 0%, the maximum ZT value of PtS2 can reach to 0.7 by applying strain. |
| Databáze: | OpenAIRE |
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