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On the structure sensitivity of and CO coverage effects on formic acid decomposition on Pd surfaces

Li, S; Rangarajan, S; Scaranto, J; Mavrikakis, M

Mavrikakis, M (corresponding author), Univ Wisconsin Madison, Dept Chem & Biol Engn, Madison, WI 53706 USA.

SURFACE SCIENCE, 2021; 709 ():

Abstract

Using density functional theory calculations, the Pd-catalyzed vapor-phase formic acid decomposition was studied, with a focus on the structure sensit......

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