EconPapers    
Economics at your fingertips  
 

EFFECT OF ASYMMETRIC LATERAL LINKING GROUPS ON THE ELECTRONIC TRANSPORT IN MOLECULAR DEVICE

Yamin Wu, Bin Liao, Guoliang Wang and Baoan Bian
Additional contact information
Yamin Wu: College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, P. R. China†School of Science, Jiangnan University, Wuxi 214122, P. R. China
Bin Liao: College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, P. R. China
Guoliang Wang: ��Guangdong Guangxin Ion Beam Technology Co. Ltd, Guangzhou 510000, P. R. China
Baoan Bian: ��School of Science, Jiangnan University, Wuxi 214122, P. R. China

Surface Review and Letters (SRL), 2022, vol. 29, issue 03, 1-7

Abstract: The effect of asymmetric lateral linking groups on the electronic transport is investigated in the biphenyl molecule-based device with gold electrodes with the framework of density functional theory and nonequilibrium Green’s function. The asymmetric lateral linking groups reduce the currents of molecular junctions, and result in the reverse rectifying behavior. The devices with asymmetric lateral linking groups –SH and –SCH3 have maximum rectifying ratios, while the asymmetric lateral linking group –SH and –NH2 cause minimum rectifying ratios. The calculated results suggest that the asymmetric lateral linking group induces the reduced coupling between molecule and right electrode, asymmetric distribution of frontier molecular orbital and asymmetric evolution of the molecular orbital eigenenergies, accounting for the rectifying behavior.

Keywords: Molecular device; lateral linking group; electronic transport; rectification (search for similar items in EconPapers)
Date: 2022
References: Add references at CitEc
Citations:

Downloads: (external link)
http://www.worldscientific.com/doi/abs/10.1142/S0218625X22500305
Access to full text is restricted to subscribers

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:wsi:srlxxx:v:29:y:2022:i:03:n:s0218625x22500305

Ordering information: This journal article can be ordered from

DOI: 10.1142/S0218625X22500305

Access Statistics for this article

Surface Review and Letters (SRL) is currently edited by S Y Tong

More articles in Surface Review and Letters (SRL) from World Scientific Publishing Co. Pte. Ltd.
Bibliographic data for series maintained by Tai Tone Lim ().

 
Page updated 2025-03-20
Handle: RePEc:wsi:srlxxx:v:29:y:2022:i:03:n:s0218625x22500305