$Hybrid density-functional theory calculations of electronic and optical properties of mercaptocarboxylic acids on ZnO $(10{\overline 1}0)$ surfaces$

Hybrid density-functional theory calculations of electronic and optical properties of mercaptocarboxylic acids on ZnO $(10{\overline 1}0)$ surfaces

In this work we investigate the electronic properties of mercaptocarboxylic acids with several carbon chain lengths adsorbed on ZnO-(10-10) surfaces via density functional theory calculations using semi-local and hybrid exchange-correlation functionals. Amongst the investigated structures, we identi...

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Hauptverfasser:	Franke, Dennis, Lorke, Michael, Frauenheim, Thomas, daRosa, Andrea L
Format:	Artikel
Sprache:	eng
Schlagworte:	Physics - Materials Science
Online-Zugang:	Volltext bestellen
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