Charge-Polarized Selenium Vacancy in Nickel Diselenide Enabling Efficient and Stable Electrocatalytic Conversion of Oxygen to Hydrogen Peroxide.

ABSTRACT: Vacancy engineering is deemed as one of the powerful protocols to tune the catalytic activity of electrocatalysts. Herein, Se-vacancy with charge polarization is created in the NiSe₂ structure (NiSe₂ -V_Se ) via a sequential phase conversion strategy. By a combined analysis of the Rietveld method, transient photovoltage spectra (TPV), in situ Raman and density functional theory (DFT) calculation, it is unequivocally discovered that the presence of charge-polarized Se-vacancy is beneficial for stabilizing the structure, decreasing the electron transfer kinetics, as well as optimizing the free adsorption energy of reaction intermediate during two-electron oxygen reduction reaction (2e^- ORR). Benefiting from these merits, the as-prepared NiSe_2</

SUBMITTER: Wang Y 

PROVIDER: S-EPMC9896043 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature