Publications by authors named "Xu-Cai Zhao"
Article Synopsis
- This study analyzes the stability, electronic structure, and optical features of the GaN/g-CN heterojunction using a sophisticated computational method.
- The results show that this heterojunction has a direct band gap and is classified as type II, where an intrinsic electric field at the interface helps reduce carrier recombination.
- Applying an external electric field can enhance the separation of photogenerated carriers and broaden the light absorption range, making GaN/g-CN useful for photocatalysis applications.
Article Synopsis
- The study investigates the energy band structure, density of states, and optical properties of MoS monolayers doped with alkaline earth metals (Be/Mg/Ca/Sr/Ba) using first principles calculations.
- Results show that all doped systems are structurally stable and experience lattice distortions, which effectively suppress the recombination of electron-hole pairs and reduce the energy needed for electron transfer between bands.
- Doping enhances the static dielectric constant and polarizability, with the Sr-MoS system showing the highest permittivity, while Be/Mg/Ca-MoS systems demonstrate better visible light absorption and potential as photo-catalysts for water splitting.
