Title: Segregation effects on the properties of (AuAg)147

Authors (4): A. L. Gould, C. J. .Heard, A. J. Logsdail, C. R. A. .Catlow

Themes: Design (2014)

DOI: 10.1039/c4cp00753k

Citations: 37

Pub type: article-journal

Publisher: Royal Society of Chemistry (RSC)

Issue: 39

License:

Publication date(s): 2014/04/15 (online)

Pages: 21049-21061

Volume: 16 Issue: 39

Journal: Physical Chemistry Chemical Physics

Link: http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP00753K

URL: http://dx.doi.org/10.1039/c4cp00753k

AuAg nanoclusters are promising supported co-catalysts for photocatalytic hydrogen reduction. However, beyond the quantum regime (N > 100) little is known about how the electronic properties of these nanoparticles are affected by chemical ordering. We investigate the effects of chemical ordering on the prope High performance computing in the chemistry of materials

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