| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5423275 | Surface Science | 2011 | 7 Pages |
Abstract
⺠First principles DFT calculations of hydrazine adsorption on Pt(111). ⺠Charge transfer from lone pair orbitals and formation of dative bonding. ⺠Stability of anti-conformation over gauche-conformation of adsorbed hydrazine. ⺠Discrepancy between calculation and XPS experiments which favored cis-conformation. ⺠Understanding cis-conformation energetic stability through orbital re-hybridization cost.
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Authors
Mohammad Kemal Agusta, Wilson Algerico Diño, Melanie David, Hiroshi Nakanishi, Hideaki Kasai,