A first-principles study on the ferroelectric and optical properties of (Zn, Co)-doped barium titanate
Abstract
algorithm indicate that the band gap of BZCT is reduced. Concurrently, the enhanced ferroelectric polarization increases the built-in electric field of the material, facilitating the separation of photogenerated carriers and improving optical absorption. The synergistic effect of narrowing the bandgap and enhancing carrier separation efficiency endows BZCT with practical application potential in visible-light-driven photocatalysis and ferroelectric photovoltaic devices. Consequently, BZCT materials represent promising candidates for energy storage and photovoltaic applications.
Fields of Study & Subjects
Ferroelectric and Piezoelectric Materials
Multiferroics and related materials
Chemical and Physical Properties of Materials
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 8
- Pages
- 5468–5478
- Publication date
- 1 January 2026
- Language
- EN