Effect of DNA bases on the thermoelectric performance in graphene nanoribbons

Xiang-Dong Guo; Xian-Ran Zhang; Kai-Bo Zhang; Meng-Dong He; Meng-Qiu Long; Shi-Hua Tan; Xiao-Fang Peng

Results in Physics (Aug 2023)

Effect of DNA bases on the thermoelectric performance in graphene nanoribbons

Xiang-Dong Guo,
Xian-Ran Zhang,
Kai-Bo Zhang,
Meng-Dong He,
Meng-Qiu Long,
Shi-Hua Tan,
Xiao-Fang Peng

Affiliations

Xiang-Dong Guo: Hunan Province Key Laboratory of Materials Surface or Interface Science and Technology, Central South University of Forestry and Technology, Changsha, 410004, China
Xian-Ran Zhang: Hunan Province Key Laboratory of Materials Surface or Interface Science and Technology, Central South University of Forestry and Technology, Changsha, 410004, China
Kai-Bo Zhang: Hunan Province Key Laboratory of Materials Surface or Interface Science and Technology, Central South University of Forestry and Technology, Changsha, 410004, China
Meng-Dong He: Hunan Province Key Laboratory of Materials Surface or Interface Science and Technology, Central South University of Forestry and Technology, Changsha, 410004, China
Meng-Qiu Long: School of Physics and Electronics, Central South University, Changsha 410083, China
Shi-Hua Tan: Hunan Province Key Laboratory of Materials Surface or Interface Science and Technology, Central South University of Forestry and Technology, Changsha, 410004, China; Corresponding author.
Xiao-Fang Peng: Hunan Province Key Laboratory of Materials Surface or Interface Science and Technology, Central South University of Forestry and Technology, Changsha, 410004, China; Corresponding author.

Journal volume & issue: Vol. 51
p. 106610

Abstract

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The thermoelectric transport properties of four kinds of DNA bases sandwiched between two zigzag-edge graphene nanoribbon electrodes are investigated by first-principles calculation. The modulation of quantum interference, molecular length, and molecular torsion on thermoelectric transport properties are studied. It is found that the thermopower and efficiency can be obviously enhanced in the guanine and electrode coupling geometry that manifests a quantum interference effect. A decrease of thermopower with a number of DNA bases has been found, while the efficiencies have a different trend with the increase of the number of different molecules. In addition, the thermopower and efficiency also can be considerably enhanced by the twisting angle between the molecule and graphene electrodes.

Published in Results in Physics

ISSN: 2211-3797 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Science: Physics
Website: http://www.journals.elsevier.com/results-in-physics/

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