Makale detayı · 2025
Two-dimensional TiNBr as photocatalyst for overall water splitting
- Yıl
- 2025
- ISSN
2475-9953- Tür
- article
Veri kaynağı ayrımı
- YÖKSİS YÖKSİS makale kaydı
- OpenAlex OpenAlex zenginleştirmesi (özet, atıf, konular)
Özet
İngilizce (OpenAlex)
Two-dimensional (2D) Janus materials have gained increasing attention as water-splitting photocatalysts for hydrogen production. We use first-principles calculations to predict a stable 2D Janus $T\text{\ensuremath{-}}\mathrm{TiNBr}$ structure with strong near-ultraviolet sunlight absorption and band edges that align favorably with the water redox potentials for oxygen and hydrogen evolution. We show that the optical and electronic properties of $T\text{\ensuremath{-}}\mathrm{TiNBr}$ can be modulated to a certain extent by applying external uniaxial strain. Explicit calculations of the redox reactions reveal that solar-driven water splitting is viable at the N-side of $T\text{\ensuremath{-}}\mathrm{TiNBr}$ while the Br-side requires modifications such as vacancy creation, the application of an external potential, or adjustment of the pH conditions.
Konular
- MXene and MAX Phase Materials
- Advanced Photocatalysis Techniques
- 2D Materials and Applications
Birincil konu MXene and MAX Phase Materials