Browsing Faculty of Arts and Sciences by Author "Chen, Melvin"
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Dinitrosyl formation as an intermediate stage of the reduction of NO in the presence of MoO3
Remediakis, Ioannis N.; Kaxiras, Efthimios; Chen, Melvin; Friend, Cynthia M. (AIP Publishing, 2003)We present first-principles calculations in the framework of density-functional theory and the pseudopotential approach, aiming to model the intermediate stages of the reduction of NO in the presence of MoO3(010). In ...