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Oscillation of Work Function during Reducible Metal Oxide Catalysis and Correlation with the Activity Property
Author(s) -
Pan Yanbo,
Shen Xiaochen,
Holly Michael A.,
Yao Libo,
Wu Dezhen,
Bentalib Abdulaziz,
Yang Jinlong,
Zeng Jie,
Peng Zhenmeng
Publication year - 2020
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201901457
Subject(s) - catalysis , oscillation (cell signaling) , work (physics) , valence (chemistry) , function (biology) , chemical physics , metal , oxide , chemistry , materials science , computational chemistry , thermodynamics , physics , organic chemistry , biochemistry , evolutionary biology , biology
Deducing from the fact that RMO catalysis typically involves reversible valence states transformation of active sites, we report one new model that uses RMO work function and its oscillation as descriptors to depict the activity property. Our experiments and DFT simulations of CO oxidation model reaction lead to an inverted volcano correlation between the two descriptors and the activity energy barrier, which shows good consistence with this new model and thus validates its effectiveness. The findings of work function and the oscillation as governing structural parameters provide a plausible theory to understand RMO catalysis and guide the catalyst research.