Reassessing structural models of graphitic carbon nitride for reliable photocatalytic predictions
Abstract
Graphitic carbon nitride (g-C 3 N 4 ) must be modelled as a layered material that has buckled layers, not flat, or else calculated doping and photophysical properties are fundamentally incorrect.
Fields of Study & Subjects
Advanced Photocatalysis Techniques
TiO2 Photocatalysis and Solar Cells
Machine Learning in Materials Science
Publication details
- Journal / source
- Materials Advances
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 7
- Issue
- 8
- Pages
- 4234–4247
- Publication date
- 1 January 2026
- Language
- EN