A van der Waals density functional investigation of carboranethiol self-assembled monolayers on Au(111)
Author:
Affiliation:
1. Department of Physics
2. Balıkesir University
3. Balıkesir 10145
4. Turkey
5. Department of Chemistry
6. Middle East Technical University
7. Ankara 06800
Abstract
Isolated and full monolayer adsorption of various carboranethiol (C2B10H12S) isomers on the gold(111) surface has been investigated using both the standard and van der Waals density functional theory calculations.
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/C6CP01485B
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