Article ID Journal Published Year Pages File Type
1864977 Physics Letters A 2012 5 Pages PDF
Abstract
► The ethene hydrogenation reaction is simulated with nudged elastic band methods. ► The catalytic effect of the Ir atom on γ-Al2O3(001) surface is modeled. ► Details of the catalytic reaction are exhibited.
Keywords
Related Topics
Physical Sciences and Engineering Physics and Astronomy Physics and Astronomy (General)
Preview
Hydrogenation of ethene catalyzed by Ir atom deposited on γ-Al2O3(001) surface: From ab initio calculations
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