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Role of the binding motifs in the energy level alignment and conductance of amine-gold linked molecular junctions within DFT and DFT+ Σ
- 1.0549112 - FZÚ 2022 RIV CH eng J - Journal Article
Montes Muñoz, Enrique - Vázquez, Héctor
Role of the binding motifs in the energy level alignment and conductance of amine-gold linked molecular junctions within DFT and DFT+ Σ.
Applied Sciences-Basel. Roč. 11, č. 2 (2021), č. článku 802. E-ISSN 2076-3417
R&D Projects: GA ČR GA19-23702S; GA MŠMT EF18_070/0010126
Institutional support: RVO:68378271
Keywords : single molecule junctions * metal/molecule interface * energy level alignment * density functional theory * conductance * electron transport * DFT + Σ
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.838, year: 2021
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0325142File Download Size Commentary Version Access 0549112.pdf 1 1.7 MB CC Licence Publisher’s postprint open-access
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