Mechanisms of Methanol Decomposition and Oxidation on ZrO2(-1 1 1):A First-Principles Study

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  Methanol is a major volatile organic compounds(VOCs).Considering that emission of VOCs can cause air pollution [1,2,3],the design and development of novel strategies for VOCs control are of great value.Previous expermients[4] showed that zirconia exhibit good catalytic activity for the methanol oxidation,however,the mechanism is not clear at present.
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