Investigating the impact of dynamic structural changes of Au/rutile catalysts on the catalytic activity of CO oxidation

Abstract The surface properties of oxidic supports and their interaction with the supported metals play critical roles in governing catalytic activities oxide‐supported metal catalysts. When are on reducible oxides, dynamic reconstruction phenomena, including strong metal–support (SMSI) oxygen vacancy formation, complicate determination structural–functional relationship at active sites. Here, we performed a systematic investigation behavior Au nanocatalysts flame‐synthesized TiO 2 , which takes predominantly rutile phase, using CO oxidation above room temperature as probe reaction. Our analysis conclusively elucidated negative correlation between activity Au/TiO interface. Although reversible formation retracting SMSI overlayers have been ubiquitously observed samples, consequence remains inconclusive. Density functional theory suggests that electron transfer from to is correlated presence interfacial vacancies, retarding activation oxidation.