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Electronic structure and reactivity of defect MoS2 II. Bonding and activation of hydrogen on surface defect sites and clusters

✍ Scribed by Jeffery A. Spirko; Michael L. Neiman; Abigail M. Oelker; Kamil Klier


Book ID
108278997
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
730 KB
Volume
572
Category
Article
ISSN
0039-6028

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## Abstract The structure of Ag~__N__~ clusters (__N__=1–4, 6, 8, 10), both in the gas phase and grown on the MgO(1 0 0) surface containing F~s~‐defects, has been investigated by a density functional basin‐hopping (DF‐BH) approach. In analogy with what observed in the case of gold clusters, it is f