Molecular structure and vibrations of NTCDA monolayers on Ag(111) from density-functional theory and infrared absorption spectroscopy
Author:
Affiliation:
1. Fachbereich Chemie
2. Philipps-Universität Marburg
3. 35032 Marburg
4. Germany
5. Wissenschaftliches Zentrum für Materialwissenschaften (WZMW)
6. Fachbereich Physik
Abstract
The structure and vibrational properties of the metal–organic interface of 1,4,5,8-naphthalene-tetracarboxylic dianhydride (NTCDA) on Ag(111) were analysed using Fourier-transform infrared absorption spectroscopy in conjunction with density functional theory calculations including dispersion forces (PBE-D3).
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP06619K
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