Role of the binding motifs in the energy level alignment and conductance of amine-gold linked molecular junctions within DFT and DFT+ Σ

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SYSNO	0549112
Title	Role of the binding motifs in the energy level alignment and conductance of amine-gold linked molecular junctions within DFT and DFT+ Σ
Author(s)	Montes Muñoz, Enrique (FZU-D)_ORCID Vázquez, Héctor (FZU-D)_ORCID
Corespondence/senior	Montes Muñoz, Enrique - Korespondující autor Vázquez, Héctor - Korespondující autor
Source Title	Applied Sciences-Basel. Roč. 11, č. 2 (2021). - : MDPI
Article number	802
Document Type	Článek v odborném periodiku
Grant	GA19-23702S GA ČR - Czech Science Foundation (CSF)
	EF18_070/0010126 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
Institutional support	FZU-D - RVO:68378271
Language	eng
Country	CH
Keywords	single molecule junctions * metal/molecule interface * energy level alignment * density functional theory * conductance * electron transport * DFT + Σ
URL	http://hdl.handle.net/11104/0325142
Permanent Link	http://hdl.handle.net/11104/0325142

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Number of the records: 1