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

doi:10.1088/1674-1056/26/2/027303

摘要/Abstract

摘要： 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.

关键词: coupling geometry, figure of merit, Green', s function, oligophenyl, thermopower

Abstract: 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.

Key words: coupling geometry, figure of merit, Green's function, oligophenyl, thermopower

中图分类号: (Thermoelectric effects)

73.50.Lw

84.60.Bk (Performance characteristics of energy conversion systems; figure of merit) 85.80.Fi (Thermoelectric devices)

S Ramezani Akbarabadi, H Rahimpour Soleimani, M Bagheri Tagani, Z Golsanamlou. Impact of coupling geometry on thermoelectric properties of oligophenyl-base transistor[J]. 中国物理B, 2017, 26(2): 27303-027303.

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