DFT insights into structural effects of Ni–Cu/CeO2 catalysts for CO selective reaction towards water–gas shift
Volume: 23, Issue: 6, Pages: 3826 - 3836
Published: Jan 1, 2021
Abstract
DFT calculations shed light into the selectivity of CO towards WGS on Ni–Cu/CeO2 catalysts, revealing perturbations of the 1π and 3σ orbitals upon CO adsorption on...
Paper Details
Title
DFT insights into structural effects of Ni–Cu/CeO2 catalysts for CO selective reaction towards water–gas shift
Published Date
Jan 1, 2021
Volume
23
Issue
6
Pages
3826 - 3836
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