Bridging experiment and theory: enhancing the electrical conductivities of soft-templated niobium-doped mesoporous titania films

Phys Chem Chem Phys. 2021 Feb 7;23(5):3219-3224. doi: 10.1039/d0cp06544g. Epub 2021 Feb 3.

Abstract

Theoretical calculations suggest a strong dependence of electrical conductivity and doping concentration in transition-metal doped titania. Herein, we present a combined theoretical and experimental approach for the prediction of relative phase stability and electrical conductivity in niobium-doped titania as model system. Our method paves the way towards the development of materials with improved electrical properties.