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Published in 2020 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26427
Abstract: The initial nucleation of gold clusters Aun (n = 1–5) on TiO2 rutile (110) reduced surface is studied using density functional theory and a full‐potential augmented‐plane‐wave method implemented in the WIEN2k code. The first two…
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Keywords:
tio2;
deposited rutile;
theoretical study;
clusters deposited ... See more keywords