CaTiO₂S is an experimental mixed-anion semiconductor compound combining calcium, titanium, oxygen, and sulfur in a single-phase structure. It belongs to the family of perovskite-derived and layered titanate semiconductors being investigated for photocatalytic and optoelectronic applications. Unlike conventional single-anion titanates (TiO₂), the sulfur substitution modifies the bandgap and electronic structure, making it a research candidate for visible-light-driven photocatalysis, hydrogen generation, and potentially thin-film photovoltaic or photochemical devices where extended light absorption is desired.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 3.100 | eV | DFT · GLLB-SC | ||
Magnetic Moment(μB) | -0.000244 | μB | DFT |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Formation Energy(ΔHf) | 0.3600 | eV/atom | DFT |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data