Inverse 'intra-lattice' charge transfer in nickel-molybdenum dual electrocatalysts regulated by under-coordinating the molybdenum center.

ABSTRACT: The prevalence of intermetallic charge transfer is a marvel for fine-tuning the electronic structure of active centers in electrocatalysts. Although Pauling electronegativity is the primary deciding factor for the direction of charge transfer, we report an unorthodox intra-lattice 'inverse' charge transfer from Mo to Ni in two systems, Ni₇₃Mo alloy electrodeposited on Cu nanowires and NiMo-hydroxide (Ni : Mo = 5 : 1) on Ni foam. The inverse charge transfer deciphered by X-ray absorption fine structure studies and X-ray photoelectron spectroscopy has been understood by the Bader charge and projected density of state analyses. The undercoordinated Mo-center pushes the Mo 4d-orbitals close to the Fermi energy in the valence band region while Ni 3d-orbitals lie in the conduction ban

SUBMITTER: Parvin S 

PROVIDER: S-EPMC10016623 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature