Adsorption geometry and the interface states: The relaxed and compressed phases of NTCDA/Ag(111)

The theoretical modelling of metal-organic interfaces represents a formidable challenge, especially in consideration of the delicate balance of various interaction mechanisms and the large size of involved molecular species. In the present study, the energies of interface states, which are known to...

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Veröffentlicht in:	arXiv.org 2016-09
Hauptverfasser:	Jakob, P, Zaitsev, N L, Namgalies, A, Tonner, R, Nechaev, I A, Tautz, F S, Höfer, U, Sanchez-Portal, D
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Electronic properties Electronic structure Mathematical models Molecular structure Photoelectric emission Physics - Materials Science Plane waves Silver Trustworthiness
Online-Zugang:	Volltext
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