Modulation of thermoelectric performance of Cn-BTBT molecular junctions by engineering contact geometry

Modulation of thermoelectric performance of Cn-BTBT molecular junctions by engineering contact geometry

Organic molecular devices are promising candidates for thermoelectric applications. By using density functional theory combined with non-equilibrium Green’s function method, we have investigated the thermoelectric properties of a single-molecule junction, which is constructed by 2,7-dialkyl [1] benz...

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Bibliographic Details
Main Authors: Bei Zhang, Xiaojiao Zhang, Shidong Zhang, Yun-Peng Wang, Jiwei Dong, Yaoxing Sun, Fangping Ouyang, Mengqiu Long
Format: Article
Language:English
Published: Elsevier 2021-07-01
Series:Results in Physics
Subjects:
First-principle calculation
Cn-BTBT molecule junctions
Zigzag graphene nanoribbon
Thermoelectric performance
Contact geometry
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379721004484

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http://www.sciencedirect.com/science/article/pii/S2211379721004484

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