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Water Formation on Pt and Pt-based Alloys: A Theoretical Description of a Catalytic Reaction

✍ Scribed by Timo Jacob; William A. Goddard III


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
543 KB
Volume
7
Category
Article
ISSN
1439-4235

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Reaction mechanism of methanol decomposi
✍ Cui-Yu Niu; Jiao Jiao; Bin Xing; Gui-Chang Wang; Xian-He Bu πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 862 KB

## Abstract The decomposition mechanisms of methanol on five different Pt surfaces, the flat surface of Pt(111), Pt‐defect, Pt‐step, Pt(110)(1 Γ— 1), and Pt(110)(2 Γ— 1), have been studied with the DFT‐GGA method using the repeated slab model. The adsorption energies under the most stable configurati