Vacancy-mediated transition metals as efficient electrocatalysts for water splitting
Yingju Yang, Jing Liu, Bo Xiong
Abstract
) of 0.01 eV and -0.03 eV, respectively. The HER process of Ti@CuS is controlled by the Heyrovsky mechanism. Co@CuS also shows superior catalytic activity towards the oxygen evolution reaction (OER), and presents a relatively lower OER overpotential of 0.41 V. Co@CuS serves as a promising candidate of bifunctional HER/OER electrocatalysts. This work not only provides highly efficient electrocatalysts for water splitting, but also inspires a novel concept to guide the extending design of catalysts in other catalysis fields.
Topics & Concepts
OverpotentialWater splittingOxygen evolutionVacancy defectCatalysisBifunctionalMaterials scienceTransition metalDensity functional theoryNanotechnologyHydrogen productionChemical engineeringChemical physicsChemistryComputational chemistryPhysical chemistryCrystallographyPhotocatalysisElectrochemistryOrganic chemistryElectrodeEngineeringElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesAdvanced battery technologies research