Browsing Theoretical and Applied Physics by Subject "Dr. Prasenjit Ghosh"

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Ab Initio Density Study of N and O Coadsorption on Pt(100) and Pt(111)

Obodo, Tobechukwu Joshua (2009-11-13)

We have used ab initio density functional theory to study the coadsorption of N and O on Pt(100) and Pt(111) surfaces. Our calculations show that on Pt(100) the most favourable site is the hollow site for N and the bridge ...