Covalent coupling of DNA bases with graphene nanoribbon electrodes: Negative differential resistance, rectifying, and thermoelectric performance

doi:10.1088/1674-1056/aba9bf

中国物理B ›› 2020, Vol. 29 ›› Issue (10): 106801-.doi: 10.1088/1674-1056/aba9bf

Peng-Peng Zhang(张鹏鹏)¹, Shi-Hua Tan(谭仕华)¹^,†(), Xiao-Fang Peng(彭小芳)¹^,‡(), Meng-Qiu Long(龙孟秋)²

收稿日期:2020-06-16 修回日期:2020-07-18 接受日期:2020-07-28 出版日期:2020-10-05 发布日期:2020-10-05
通讯作者: Shi-Hua Tan(谭仕华), Xiao-Fang Peng(彭小芳)

Covalent coupling of DNA bases with graphene nanoribbon electrodes: Negative differential resistance, rectifying, and thermoelectric performance

Peng-Peng Zhang(张鹏鹏)¹, Shi-Hua Tan(谭仕华)^1,†, Xiao-Fang Peng(彭小芳)^1,‡, and Meng-Qiu Long(龙孟秋)²

¹ Hunan Provincial Key Laboratory of Materials Surface or Interface Science and Technology, Central South University of Forestry and Technology, Changsha 410004, China
² School of Physics and Electronics, Central South University, Changsha 410083, China

Received:2020-06-16 Revised:2020-07-18 Accepted:2020-07-28 Online:2020-10-05 Published:2020-10-05
Contact: ^†Corresponding author. E-mail: shtan@csuft.edu.cn
About author:
†Corresponding author. E-mail: shtan@csuft.edu.cn
‡Corresponding author. E-mail: xiaofangpeng11@163.com
* Project supported by the National Natural Science Foundation of China (Grant Nos. 11704417 and 11247030), the Natural Science Foundation of Hunan Province, China (Grant No. 2019JJ40532), and the Talent Introducing Foundation of Central South University of Forestry and Technology (Grant No. 1040160).

摘要/Abstract

Abstract:

By applying nonequilibrium Green’s functions in combination with the density-functional theory, we investigate the electronic, thermal, and thermoelectric properties of four kinds of bases in DNA perpendicularly coupling between two ZGNR electrodes. The results show that the electron transport is highly sensitive to different base-ZGNR coupling geometries, and the system can present large rectifying and negative differential resistance effects. Moreover, the fluctuations of electronic transmission and super-low thermal conductance result in significant enhancement of the thermoelectric figure of merit (ZT): the ZT will be over 1.4 at room temperature, and over 1.6 at 200 K. The results show that the base-ZGNR coupling devices can present large rectifying, negative differential resistance, and enhanced thermoelectric effects.

Key words: DNA bases, graphene, electron transport, phonon transport, thermoelectric performance

中图分类号: (Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties)

68.65.-k

44.10.+i (Heat conduction) 65.80.Ck (Thermal properties of graphene) 81.05.ue (Graphene)

Peng-Peng Zhang(张鹏鹏), Shi-Hua Tan(谭仕华), Xiao-Fang Peng(彭小芳), Meng-Qiu Long(龙孟秋). [J]. 中国物理B, 2020, 29(10): 106801-.

Peng-Peng Zhang(张鹏鹏), Shi-Hua Tan(谭仕华)†, Xiao-Fang Peng(彭小芳)‡, and Meng-Qiu Long(龙孟秋). Covalent coupling of DNA bases with graphene nanoribbon electrodes: Negative differential resistance, rectifying, and thermoelectric performance[J]. Chin. Phys. B, 2020, 29(10): 106801-.

图/表 6

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