期刊
CATALYSIS TODAY
卷 117, 期 1-3, 页码 133-137出版社
ELSEVIER
DOI: 10.1016/j.cattod.2006.05.048
关键词
methane oxidation; transition metal oxide; C-H bond activation; H abstraction
We present a systematic survey of C-H activation over various transition metal oxides using cluster model calculations. We find that H abstraction pathway is feasible on most oxides. Our calculations suggest that when the M = O bond possesses a high polarity such as those in tungsten oxides, (2 + 2) becomes an alternative pathway. Trends and intrinsic factors that influence the activation modes are discussed. (C) 2006 Published by Elsevier B.V.
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