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Trends in methanol decomposition on transition metal alloy clusters from scaling and Brønsted–Evans–Polanyi relationships

A combination of first principles Density Functional Theory calculations and thermochemical scaling relationships are employed to estimate the thermochemistry and kinetics of methanol decomposition on unsupported subnanometer metal clusters. The approach uses binding energies of various atomic and molecular species

Authors:   Faisal Mehmood; Rees B. Rankin; Jeffrey Greeley; Larry A. Curtiss
Journal:   Physical Chemistry Chemical Physics
DOI:   10.1039/C2CP00052K

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