Density Functional Analysis of Copper Doping Effects on the OER Activity of Nickel-Iron Phosphate
Keywords:
Cu doping, Density functional theory, NiFe Phosphate, Oxygen evolution reaction, manifestationAbstract
This study explores the impact of Cu doping on the oxygen evolution reaction (OER) activity of bimetallic NiFe phosphate using density functional theory-based calculations. The results indicate that Cu doping improves the catalytic performance at the Fe site by lowering the overpotential, while slightly increasing it at the Ni site. The Cu site, however, shows poor OER activity due to weak intermediate binding.
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