Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 11(21), p. 6178-6185, 2019
DOI: 10.1039/c9cp00346k
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Tuning of the gold work function by carborane films studied using density functional theory
Journal article published in 2019 by
Martin Hladík,
Aliaksei Vetushka,
Antonín Fejfar,
Héctor Vázquez 
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Abstract
Using density functional theory including van der Waals interactions, we calculate the adsorption and electronic properties of dithiol-dicarba-closo-dodecaboranes chemisorbed on Au(111) surfaces.