催化作用
纳米材料基催化剂
金红石
氧气
氧化物
金属
材料科学
空位缺陷
过渡金属
密度泛函理论
电子转移
化学工程
无机化学
化学
化学物理
物理化学
结晶学
计算化学
冶金
有机化学
工程类
作者
Xiaochun Hu,Qianwenhao Fan,Mingwu Tan,Yuqing Luo,Xianyue Wu,Manoel Y. Manuputty,Jie Ding,Tej S. Choksi,Markus Kraft,Rong Xu,Zhiqiang Sun,Wen Liu
摘要
Abstract The surface properties of oxidic supports and their interaction with the supported metals play critical roles in governing the catalytic activities of oxide‐supported metal catalysts. When metals are supported on reducible oxides, dynamic surface reconstruction phenomena, including strong metal–support interaction (SMSI) and oxygen vacancy formation, complicate the determination of the structural–functional relationship at the active sites. Here, we performed a systematic investigation of the dynamic behavior of Au nanocatalysts supported on flame‐synthesized TiO 2 , which takes predominantly a rutile phase, using CO oxidation above room temperature as a probe reaction. Our analysis conclusively elucidated a negative correlation between the catalytic activity of Au/TiO 2 and the oxygen vacancy at the Au/TiO 2 interface. Although the reversible formation and retracting of SMSI overlayers have been ubiquitously observed on Au/TiO 2 samples, the catalytic consequence of SMSI remains inconclusive. Density functional theory suggests that the electron transfer from TiO 2 to Au is correlated to the presence of the interfacial oxygen vacancies, retarding the catalytic activation of CO oxidation.
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