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- W1997886003 abstract "Recent experiments revealed that surface reconstruction occurs at around 300–400 K in the interface of C60 adsorbed on Cu(111) substrate by scanning tunneling microscope techniques. To understand effects of such reconstruction on thermopower, we investigate the Seebeck coefficients of C60 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 Å may change from p- to n-type under surface reconstruction." @default.
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- W1997886003 date "2012-12-10" @default.
- W1997886003 modified "2023-10-16" @default.
- W1997886003 title "Tailoring thermopower of single-molecular junctions by temperature-induced surface reconstruction" @default.
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- W1997886003 doi "https://doi.org/10.1063/1.4769814" @default.
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