Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC

Identifying the structure sensitivity of catalysts in reactions, such as Fischer–Tropsch synthesis from CO and H2 over cobalt catalysts, is an important yet challenging issue in heterogeneous catalysis. Based on a first-principles kinetic study, we find for the first time that CO activation on hexag...

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Published inJournal of the American Chemical Society Vol. 135; no. 44; pp. 16284 - 16287
Main Authors Liu, Jin-Xun, Su, Hai-Yan, Sun, Da-Peng, Zhang, Bing-Yan, Li, Wei-Xue
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 06.11.2013
Subjects
active sites
carbon monoxide
catalysts
catalytic activity
cobalt
dissociation
hydrogen
synthetic fuels
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Summary:Identifying the structure sensitivity of catalysts in reactions, such as Fischer–Tropsch synthesis from CO and H2 over cobalt catalysts, is an important yet challenging issue in heterogeneous catalysis. Based on a first-principles kinetic study, we find for the first time that CO activation on hexagonal close-packed (HCP) Co not only has much higher intrinsic activity than that of face centered-cubic (FCC) Co but also prefers a different reaction route, i.e., direct dissociation with HCP Co but H-assisted dissociation on the FCC Co. The origin is identified from the formation of various denser yet favorable active sites on HCP Co not available for FCC Co, due to their distinct crystallographic structure and morphology. The great dependence of the activity on the crystallographic structure and morphology of the catalysts revealed here may open a new avenue for better, stable catalysts with maximum mass-specific reactivity.
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content type line 23
ISSN:0002-7863
1520-5126
1520-5126
DOI:10.1021/ja408521w