Metal-free heteroatom doping of carbon nitride for enhanced photocatalytic hydrogen peroxide production
Title: Metal-free heteroatom doping of carbon nitride for enhanced photocatalytic hydrogen peroxide production
Authors: E. Sebastian-Garate, B. F. Gonçalves, J. Llusar, P. Gluchowski, I. Infante, S. Lanceros-Mendez, Q. Zhang, H. Salazar
Journal: Nano Energy
DOI: 10.1016/j.nanoen.2025.111551
The novelty of this work lies in the systematic comparison of multiple metal-free heteroatom dopants (B, P, O, S) in C3N4, providing clear insight into how each dopant modifies structure, electronic properties, and photocatalytic performance. Unlike typical single-dopant studies, this approach establishes direct structure–property relationships across different elements.
A key advancement is the exceptionally high H2O2 production achieved in a fully metal-free system, with S-doped C3N4 reaching record yields and quantum efficiencies. The magnitude of enhancement (up to 16.4×) demonstrates that non-metal doping alone can rival or surpass more complex catalytic systems.
The work is further distinguished by the combination of DFT analysis with experimental validation, revealing dopant-specific effects on charge distribution, band structure, and recombination dynamics. This enables a more rational understanding of catalyst design.
Finally, the study provides mechanistic insight into the selective 2e⁻ ORR pathway and demonstrates strong catalyst stability, making it a significant step toward practical, sustainable photocatalytic H2O2 production.
