Influence of Excess Charge on Water Adsorption on the BiVO₄(010) Surface.

ABSTRACT: We present a combined computational and experimental study of the adsorption of water on the Mo-doped BiVO₄(010) surface, revealing how excess electrons influence the dissociation of water and lead to hydroxyl-induced alterations of the surface electronic structure. By comparing ambient pressure resonant photoemission spectroscopy (AP-ResPES) measurements with the results of first-principles calculations, we show that the dissociation of water on the stoichiometric Mo-doped BiVO₄(010) surface stabilizes the formation of a small electron polaron on the VO₄ tetrahedral site and leads to an enhanced concentration of localized electronic charge at the surface. Our calculations demonstrate that the dissociated water accounts for the enhanced V⁴⁺ signa

SUBMITTER: Wang W 

PROVIDER: S-EPMC9501793 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature