Halo-substituted azobenzenes adsorbed at Ag(111) and Au(111) interfaces: Structures and optical properties

Halo-substituted azobenzenes adsorbed at Ag(111) and Au(111) interfaces: Structures and optical properties

Yes === The adsorption of azobenzene (AB), ortho fluoro-azobenzene (FAB) and ortho chlor-azobenzol (ClAB), in both the cis and trans isomers, at the Au(111) and Ag(111) surfaces is investigated using plane-wave density functional calculations with the revPBE-vdW-DF functional. The resulting adsorpti...

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Bibliographic Details
Main Authors: Hughes, Zak E., Baev, A., Prasad, P.N., Walsh, T.R.
Language:en
Published: 2018
Subjects:
Azo-benzene
Density functional theory
Absorption spectra
Silver
Gold
Online Access:http://hdl.handle.net/10454/15781

Internet

http://hdl.handle.net/10454/15781

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