Elucidating the enhanced decomposition of alkyl hydroperoxides on oxygen vacancy rich TiO_2−xsurfaces using DFT for polyethylene decomposition

Abstract

Effective photocatalytic polyethylene degradation by TiO2 is hindered by sluggish kinetics of alkyl hydroperoxide decomposition. Introduction of oxygen vacancies onto TiO2 destabilizes the hydroperoxide O-O bond, due to mid gap...