Abstract:Density functional
theory calculations within the framework of
generalized gradient approximation (GGA), meta-GGA, and local functionals
were carried out to investigate the reactivity and catalytic activity
of Ag
n
(
n
= 15–20)
clusters. Our results reveal that all the Ag
n
clusters in this size range, except Ag
20
, adsorb
O
2
preferably in the bridged mode with enhanced binding
energy as… Show more
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