Article ID Journal Published Year Pages File Type
5392999 Computational and Theoretical Chemistry 2015 35 Pages PDF
Abstract
Adsorption energy (ΔEads (2HO)) of 2HO radicals onto metal oxide surfaces as a function of the change in Mulliken charge of the metal cations that bind to the HO radicals (e). The value of e is an average of the individual e of the cations involved in the bonding with the 2HO.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Application of reactivity descriptors to the catalytic decomposition of hydrogen peroxide at oxide surfaces
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