DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters
Author:
Affiliation:
1. School of Chemistry
2. University of Birmingham
3. Birmingham
4. UK
5. Department of Chemistry
Abstract
The effect of a MgO support on the structures and energies of Au–Pd clusters is calculated at the DFT level.
Funder
Engineering and Physical Sciences Research Council
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/C6CP03958H
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