期刊
CHEMICAL PHYSICS LETTERS
卷 711, 期 -, 页码 73-76出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2018.09.026
关键词
DFT; XAFS; Hydrogen carrier; Dehydrogenation of methylcyclohexane; Unsaturated coordination
The structure of Pt-Mn/Al2O3 catalyst which shows high performance for dehydrogenation of methylcyclohexane, a prospective hydrogen carrier, was investigated by XAFS and DFT calculations. Mn addition on Pt/Al2O3 brings higher activity, selectivity, and stability for dehydrogenation of MCH than with Pt/Al2O3 alone. Results of XAFS and DFT calculations revealed that MnOx selectively covered the unsaturated coordination of Pt. On the unsaturated step facets such as Pt (1 1 0) and Pt (3 1 1), demethylation proceeds easily. Addition of Mn on Pt/Al2O3 catalyst brought selective dehydrogenation of MCH by coverage of such step sites with MnOx.
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