Thermoelectric properties of Alkanedithiol single-molecule junctions
碩士 === 國立交通大學 === 電子物理系所 === 107 === In this thesis, the SAM structures for alkanethiols with short chains were studied on unreconstructed Au (1 1 1) surfaces. There are several possible positions for S adsorbed on Au (1 1 1). I adopt the Fcc site with the S–C bond perpendicular to the Au (1 1 1) su...
| Main Authors: | , |
|---|---|
| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2019
|
| Online Access: | http://ndltd.ncl.edu.tw/handle/x465dw |
| Summary: | 碩士 === 國立交通大學 === 電子物理系所 === 107 === In this thesis, the SAM structures for alkanethiols with short chains were studied on unreconstructed Au (1 1 1) surfaces. There are several possible positions for S adsorbed on Au (1 1 1). I adopt the Fcc site with the S–C bond perpendicular to the Au (1 1 1) surface.Also, I adopt the Fcc bridge with the S–C is inclined by 〖22〗^。for another system.
under the framework of the density functional theory and the Lippmann-Schwinger equation ,we report DFT calculations for density of states、 Seebeck coefficient and thermoelectric properties of Alkanedithiol.
|
|---|