H2 Dissociative Adsorption on Strained/CO-Precovered Pt
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We report the effects of straining and CO precover on H2 interaction with Pt determined by ab initio density functional calculations. Compressive (tensile) strain prevents (promotes) H2 dissociation and subsequent H adsorption. On the other hand, a CO neighbor prevents only H2 dissociation. Therefore, the catalytic activities for H2 dissociative adsorption are the best for realizing tensile-strained Pt, and the worst for realizing compressive-strained and CO-precovered Pt. We suggest that straining and/or CO precover can be used as a catalytic tailor for H2 dissociative adsorption.
- Jpn J Appl Phys
Jpn J Appl Phys 45(45), L1219-L1221, 2006-11-25
INSTITUTE OF PURE AND APPLIED PHYSICS