Initial steps in methanol steam reforming on PdZn and ZnO surfaces: Density functional theory studies

Article ID	Journal	Published Year	Pages	File Type
5422923	Surface Science	2011	10 Pages	PDF

Abstract

âºCH3OH and H2O dissociations on defect-free PdZn surfaces are highly activated. âºDefects on PdZn surfaces lower these barriers. âºCH3OH and H2O dissociations on the ZnO(0001) surface have relatively low barriers.

Keywords

PdZn DFT Methanol steam reforming ZnO

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Initial steps in methanol steam reforming on PdZn and ZnO surfaces: Density functional theory studies

Authors

Gregory K. Smith, Sen Lin, Wenzhen Lai, Abhaya Datye, Daiqian Xie, Hua Guo,