Unraveling the Surface Reactivity of Pristine and Ti-Doped Hematite with Water

J Phys Chem Lett. 2021 Dec 2;12(47):11520-11527. doi: 10.1021/acs.jpclett.1c03029. Epub 2021 Nov 19.

Abstract

Water adsorption and dissociation on undoped and Ti-doped hematite thin films were investigated using near-ambient pressure photoemission and DFT calculations. A fine understanding of doping effects is of prime importance in the framework of photoanode efficiency in aqueous conditions. By comparison to pure Fe2O3 surface, the Ti(2%)-Fe2O3 surface shows a lower hydroxylation level. We demonstrate that titanium induces wide structural modifications of the surface, preventing it from reaching full hydroxylation.