Linking electronic structure to adsorption energies: metal surfaces and single-atom catalysts

Published in Catalysis vol. 34, 2022


This a book chapter in the illustrious Catalysis Book series by the Royal Society of Chemistry. Here we discuss the crucial role electronic structure properties play in determining catalytic performance via adsorption energies for metals and single-atom catalysts.

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Recommended citation: G. O. Kayode, S. Zhang and M. M. Montemore, in Catalysis, 2022, vol. 34, pp. 17–55.