Nickel doping lowers the computed rate-limiting oxygen evolution barrier on BaTiO3 from about 1.5 eV to 1.2 eV in explicit-water metadynamics simulations.
ChemCatChem 3(7), 1159–1165 (2011)
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Mechanistic Insights into the Oxygen Evolution Reaction on Nickel-Doped Barium Titanate via Machine Learning-Accelerated Simulations
Nickel doping lowers the computed rate-limiting oxygen evolution barrier on BaTiO3 from about 1.5 eV to 1.2 eV in explicit-water metadynamics simulations.