利用密度泛函方法研究了Mn-Na2WO4/SiO2催化剂表面的活性中心结构. 对不同活性中心电子结构的分析表明, 以单个桥氧担载的四面体[WO4]是最可能的甲烷活化中心; 计算所得活化能为67 kJ/mol.
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