Surface Termination and Composition Control of Activity of the CoxNi1–xFe2O4(001) Surface for Water Oxidation: Insights from DFT+U Calculations
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DOI: 10.1021/acscatal.8b00574
Abstract: Using density functional theory calculations with an on-site Hubbard term (DFT+U), we explore the effect of surface termination and cation substitution on the performance of the CoxNi1–xFe2O4(001) surface (x = 0.0, 0.5, 1.0) as an… read more here.
Keywords: 001 surface; surface termination; coxni1 xfe2o4; surface ... See more keywords