Article ID Journal Published Year Pages File Type
5423348 Surface Science 2011 7 Pages PDF
Abstract
► In general, less-coordinated gold atoms are more reactive. ► The (111) surfaces provides strongest oxygen atom binding. ► Terrace edges provide strongest binding on the (211) surface. ► Spin polarization calculations are essential for binding energy calculations.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Density functional theory study of the adsorption of oxygen atoms on gold (111), (100) and (211) surfaces
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