標題: | Tailoring thermopower of single-molecular junctions by temperature-induced surface reconstruction |
作者: | Hsu, Bailey C. Lin, Chiung-Yuan Hsieh, Yau-Shian Chen, Yu-Chang 電子物理學系 電子工程學系及電子研究所 Department of Electrophysics Department of Electronics Engineering and Institute of Electronics |
公開日期: | 10-十二月-2012 |
摘要: | Recent experiments revealed that surface reconstruction occurs at around 300-400 K in the interface of C-60 adsorbed on Cu(111) substrate by scanning tunneling microscope techniques. To understand effects of such reconstruction on thermopower, we investigate the Seebeck coefficients of C-60 single-molecular junctions without and with surface reconstruction as a function of temperature at different tip-to-molecule heights from first-principles. Our calculations show that surface reconstruction can enhance or suppress Seebeck coefficients according to junctions at different tip heights. We further observe that the Seebeck coefficient of the junction at d = 3.4 angstrom may change from p- to n-type under surface reconstruction. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4769814] |
URI: | http://dx.doi.org/10.1063/1.4769814 http://hdl.handle.net/11536/20836 |
ISSN: | 0003-6951 |
DOI: | 10.1063/1.4769814 |
期刊: | APPLIED PHYSICS LETTERS |
Volume: | 101 |
Issue: | 24 |
結束頁: | |
顯示於類別: | 期刊論文 |