H2 Dissociative Adsorption on Strained/CO-Precovered Pt
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.
- Japanese journal of applied physics. Pt. 2, Letters
Japanese journal of applied physics. Pt. 2, Letters 45(45), L1219-L1221, 2006-11-25
Japan Society of Applied Physics