Abstract: Density functional theory study of H and CO adsorption on K-promoted Mo<sub>2</sub>C surfaces (22nd North American Catalysis Society Meeting)

Tuesday, June 7, 2011

Ontario Exhibit Hall (Detroit Marriott Hotel at the Renaissance Center )

Liwei Li, Jeong Woo Han and David S. Sholl, Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA

Surface stabilities of seven low Miller index Mo₂C surfaces were examined. A surface reconstruction was observed. Adsorption of H and CO on K-promoted Mo₂C surfaces was investigated. This work provided fundamental information for further study of alcohol and hydrocarbon synthesis reaction mechanism from synthesis gas and alkali promoter effect.

Extended Abstracts:

Extended Abstract.pdf (188.5KB) - Extended Abstract

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P-Tu-144 Density functional theory study of H and CO adsorption on K-promoted Mo2C surfaces

P-Tu-144 Density functional theory study of H and CO adsorption on K-promoted Mo₂C surfaces