Prominent nonequilibrium effects beyond the standard first-principles approach in nanoscale electronic devices-Reference-Cited by-同舟云学术

Prominent nonequilibrium effects beyond the standard first-principles approach in nanoscale electronic devices

Published:2021 Issue:10 Volume:6 Page:801-808
ISSN:2055-6756
Container-title:Nanoscale Horizons
language:en
Short-container-title:Nanoscale Horiz.

Author:

Jiang Zhuoling¹,Yam Kah-Meng¹²,Guo Na¹,Zhang Lishu¹³^ORCID,Shen Lei⁴^ORCID,Zhang Chun¹²^ORCID

Affiliation:

1. Department of Physics, National University of Singapore, 2 Science Drive 3, 117551, Singapore

2. Department of Chemistry, National University of Singapore, 3 Science Drive 3, 117543, Singapore

3. Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061, China

4. Department of Mechanical Engineering and Engineering Science, National University of Singapore, 117542, Singapore

Abstract

With steady-state density functional theory (SS-DFT), we predict a novel type of nonequilibrium effect that is beyond the DFT based method, which explains ‘puzzling’ transport properties of silane molecules observed in experiments.

Funder

Ministry of Education - Singapore

National University of Singapore

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NH/D1NH00293G

Reference33 articles.

1. Gating of a Molecular Transistor: Electrostatic and Conformational

2. Observation of molecular orbital gating

3. Coherent Electron Transport through an Azobenzene Molecule: A Light-Driven Molecular Switch

4. Tuning the conductance of a molecular switch

5. Covalently bonded single-molecule junctions with stable and reversible photoswitched conductivity

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