Nature of metal-support interaction for metal catalysts on oxide supports
Tairan Wang1, Jianyu Hu2, Runhai Ouyang3
1Key Laboratory of Precision and Intelligent Chemistry, School of Chemistry and Materials Science, iChEM, University of Science and Technology of China, Hefei, China.
Abstract:
The metal-support interaction is one of the most important pillars in heterogeneous catalysis, but developing a fundamental theory has been challenging because of the intricate interfaces. Based on experimental data, interpretable machine learning, theoretical derivation, and first-principles simulations, we established a general theory of metal-oxide interactions grounded in metal-metal and metal-oxygen interactions. The theory applies to metal nanoparticles and atoms on oxide supports and oxide films on metal supports. We found that for late-transition metal catalysts, metal-metal interactions dominated the oxide support effects and suboxide encapsulation over metal nanoparticles. A principle of strong metal-metal interactions for encapsulation occurrence is formulated and substantiated by extensive experiments including 10 metals and 16 oxides. The valuable insights revealed on (strong) metal-support interaction advance the interfacial design of supported metal catalysts.
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