Electronic structure studies of Ni_X (X: B, S, P) alloys using x-ray photoelectron spectroscopy, x-ray induced Auger electron spectroscopy and density functional theory calculations

摘要

The electronic structure of Ni-X (X = B, S, P) alloys was studied using x-ray photoelectron spectroscopy, x-ray induced Auger electron spectroscopy and density functional theory. The spectroscopic data in the form of the Ni 2p shake-up satellite and the Ni 2p LMM, P 2p KLL and S 2p KLL Auger parameters combined with density of states (DOS) and charge difference plots suggest an overall charge transfer from the Ni sites towards the alloying addition sites. However, this is masked, with intra-atomic charge redistribution leading to an increased occupancy of the Ni 3d states in the alloys. The Ni 3d DOS shows strong similarity to that of Pt which is the best catalyst for hydrogen evolution.