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Electronic Structure Descriptors for CO$_2$ Conversion Activity in Perovskite Oxides

Jin, Hyo-sun et al.
arXiv (All) · Papers
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materials-science
Electronic structure descriptors have been widely used to rationalize catalytic activity, but their application to CO$_2$-to-CH$_4$ conversion in perovskite oxides remains relatively limited. Here, we investigate six electronic structure descriptors related to band centers and bandwidths. We find th
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