过渡金属氧化物表界面催化氧化的理论研究进展
唐 颖,周凌云,傅 钢*

(厦门大学化学化工学院,固体表面物理化学国家重点实验室,能源材料化学协同创新中心,福建 厦门 361005)

端氧物种; 复合氧化物; 界面氧化物; 烷烃; 选择氧化; CO氧化

Theoretical progresses in transition metal oxide surface/interface in catalytic oxidation
TANG Ying,ZHOU Lingyun,FU Gang*

(State Key Laboratory of Physical Chemistry of Solid Surfaces,Collaborative Innovation Center of Chemistry for Energy Materials,College of Chemistry and Chemical Engineering,Xiamen University,Xiamen 361005,China)

terminal oxo species; complex oxides; interfacial oxides; alkanes; selective oxidation; CO oxidationdoi:10.6043/j.issn.0438-0479.202006008

DOI: 10.6043/j.issn.0438-0479.202006003

备注

过渡金属氧化物,如V、Mo和Fe基氧化物及其复合氧化物已被广泛地应用于催化氧化反应.本文主要回顾本课题组在氧化物表界面理论催化机理研究的进展,重点讨论了3个方面的问题:1)高价金属氧化物对烷烃C—H键的氧化活化机理; 2)多组分氧化物在C—H键氧化中的作用; 3)界面(氢)氧化物的结构及其对CO氧化的影响.对比近期相关的理论和实验研究结果,可以获得丰富的机理信息.

Transition metal oxides,such as V,Mo and Fe oxides and their mixed oxides,have been applied in a broad range of catalytic oxidation.In this work,we have reviewed some of our recent theoretical advances on selective oxidation of alkanes as well as the CO oxidation.Attention has been paid to three key topics:1)mechanisms of the oxidative activation of alkane C—H bond by high valence metal oxides,2)roles of multicomponent oxides in the C—H bond oxidation,and 3)structures of interfacial(hydro)oxides and their roles in the CO oxidation.Compared with recent relevant theoretical and experimental results,abundant mechanistic information has been obtained.