Impact of coupling geometry on thermoelectric properties of oligophenyl-base transistor

Thermal and electron transport through organic molecules attached to three-dimensional gold electrodes in two different configurations, namely para and meta with thiol-terminated junctions is studied theoretically in the linear response regime using Green＇s function formalism. We used thiol-terminat...

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Bibliographic Details
Published in:Chinese physics B 2017-02, Vol.26 (2), p.420-427
Main Authors: Akbarabadi, S Ramezani, Soleimani, H Rahimpour, Tagani, M Bagheri, Golsanamlou, Z
Format: Article
Language:English
Subjects:
coupling geometry
figure of merit
Green's function
oligophenyl
thermopower
低聚
几何形状
分子连接
分子长度
基极
晶体管
热电性能
耦合
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Summary:Thermal and electron transport through organic molecules attached to three-dimensional gold electrodes in two different configurations, namely para and meta with thiol-terminated junctions is studied theoretically in the linear response regime using Green＇s function formalism. We used thiol-terminated（–SH bond） benzene units and found a positive thermopower because the highest occupied molecular orbital（HOMO） is near the Fermi energy level. We investigated the influence of molecular length and molecular junction geometry on the thermoelectric properties. Our results show that the thermoelectric properties are highly sensitive to the coupling geometry and the molecular length. In addition, we observed that the interference effects and increasing molecular length can increase the thermoelectric efficiency of device in a specific configuration.
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/26/2/027303