Impact of increasing the number of molecules in thermopower properties of C20 molecule

Document Type : Full length research Paper

Author

Computational Nanophysics Laboratory (CNL), Department of Physics, University of Guilan, Rasht, Iran

Abstract

In this research, thermopower properties of C20 fullerene molecule and the effect of increasing the number of molecule is investigated using density functional theory and Green’s function formalism in linear response regime. We consider three different configuration: Au- C20 - Au, Au- (C20)2- Au and finally Au- (C20)3 – Au. The calculation show that increasing the number of C20 fullerene molecules in the device increases the molecular thermopower. In addition, the signs of the seebeck coefficient are length dependent and can be positive (p type) or negative (n type) for different number of C20 fullerene molecules. Thermopower, increases the figure of merit in the system and will lead to more efficient thermoelectric Device.

Keywords

References

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Journal of Research on Many-body Systems
Volume 8, Issue 18
October 2018
Pages 97-103

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History

  • Receive Date: 25 June 2016
  • Revise Date: 26 June 2018
  • Accept Date: 22 October 2018

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