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Tuning the conductance of benzene-based single-molecule junctions
- 1.0460541 - FZÚ 2017 RIV NL eng J - Journal Article
Kaminski, W. - Topolnicki, R. - Hapala, Prokop - Jelínek, Pavel - Kucharczyk, R.
Tuning the conductance of benzene-based single-molecule junctions.
Organic Electronics. Roč. 34, Jul (2016), s. 254-261. ISSN 1566-1199. E-ISSN 1878-5530
R&D Projects: GA ČR(CZ) GA14-02079S
Institutional support: RVO:68378271
Keywords : molecular electronics * DFT * NEGF * transport
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.399, year: 2016
We address this issue by considering N, O, S, and Se atoms as prospective linkers anchoring the benzene molecule to the Au(1 0 0) electrodes. Calculations based on non-equilibrium Green's function approach are performed within the framework of the density functional theory.
Permanent Link: http://hdl.handle.net/11104/0261834
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