Article ID Journal Published Year Pages File Type
5423445 Surface Science 2012 7 Pages PDF
Abstract
► Vanadium oxides (VO2, V2O3, V2O5, V6O13) are modeled as bulk and thin film structures using reactive molecular dynamics. ► Stability is estimated to be V2O5, V6O13, V2O3 and VO2 in decreasing order when formed in thin film structures. ► Oxidation kinetics of bulk vanadium is simulated with dry oxidation conditions. ► V2O3 is found to be the dominant component of oxidation kinetics.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Chemical stability and surface stoichiometry of vanadium oxide phases studied by reactive molecular dynamics simulations
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