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

0549112 - FZÚ 2022 RIV CH eng J - Článek v odborném periodiku
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
Grant CEP: GA ČR GA19-23702S; GA MŠMT EF18_070/0010126
Institucionální podpora: RVO:68378271
Klíčová slova: single molecule junctions * metal/molecule interface * energy level alignment * density functional theory * conductance * electron transport * DFT + Σ
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 2.838, rok: 2021
Způsob publikování: Open access
Trvalý link: http://hdl.handle.net/11104/0325142