Tuning electronic structure for enhanced photocatalytic performance: theoretical and experimental investigation of CuM_1−xM′_xO₂ (M, M′ = B, Al, Ga, In) solid solutions

Abstract

This study introduces robust screening methodology for the efficient design of delafossite CuM1−xM′xO2 solid-solution photocatalysts using band-structure engineering.

Ba3SnGa10−xInxO20 (0 ≤ x ≤ 2): site-selective doping, band structure engineering and photocatalytic overall water splitting

“…Most such metal oxides with d 0 and/or d 10 metals are capable of overall water splitting because of the wide band gap as well as the appropriate potentials of the CBM and valence band maximum (VBM). 24–27 The problem is also the same point. The band gap is too wide to limit the light absorption ability.…”