Article ID Journal Published Year Pages File Type
5382287 Chemical Physics Letters 2013 10 Pages PDF
Abstract
► Oxygen centers of the (AgO)n (n = 1-4, 6) clusters are predicted to be anion-radical. ► The O/Ag ratio close to unity is responsible for the radicality of oxygen. ► The spins localized on oxygen are ferromagnetically ordered via nonmagnetic Ag bridges. ► The lowest excited states become antiferromagnetic. ► The O− center is suggested to be responsible for ethylene epoxidation on silver.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Anion-radical oxygen centers in small (AgO)n clusters: Density functional theory predictions
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