Surface termination-dependent Sc 2 C MXenes: a first-principles study on photocatalytic water splitting
Abstract
The electronic properties, effective masses, and photocatalytic performances for water splitting of Sc 2 CT 2 and Janus Sc 2 CXT (X, T = F, O, H, and OH) MXenes were systematically investigated using density functional theory (DFT).
Fields of Study & Subjects
MXene and MAX Phase Materials
2D Materials and Applications
Advanced Photocatalysis Techniques
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Volume
- 28
- Issue
- 3
- Pages
- 2247–2257
- Publication date
- 1 January 2026
- Language
- EN