@article{Hao2025, 
author = {Quanguo Hao and Yuhua Zhu and Yuan Li and Zhenhua Li and Hong Yuan and Shuxin Ouyang},
title = {Rational design of a carbon nitride photocatalyst with in-plane electron delocalization for photocatalytic hydrogen evolution},
year = {2025},
journal = {Industrial Chemistry & Materials},
volume = {3},
number = {2},
pages = {203-212},
keywords = {B doping, π-electron delocalization, H2 evolution, Photocatalysis},
url = {https://www.sciopen.com/article/10.1039/d4im00118d},
doi = {10.1039/d4im00118d},
abstract = {Photocatalytic hydrogen evolution based on the use of carbon nitride (CN) catalyst offers a sustainable route to convert solar energy into hydrogen energy; however, its activity is severely restricted by the sluggish transfer of photogenerated charges. Herein, we report a novel approach involving boron (B) doping-induced π-electron delocalization in CN for efficient hydrogen (H2) evolution. The as-prepared B-doped CN (BCN) catalyst presented an 8.6-fold enhancement in the H2-evolution rate (7924.0 μmol h−1 g−1) under visible-light irradiation compared with pristine CN, which corresponded to an apparent quantum yield (AQY) of 14.5% at 405 nm. Experimental analysis and density functional theory (DFT) calculations demonstrated that B doping induced π-electron delocalization in conjugated CN rings to generate a new intermediate state within the band gap to provide a new transfer path for visible-light utilization, thus achieving the high separation and transfer of photoinduced carriers. This work provides a new approach to adjust the electronic structure of CN-like conjugated polymer semiconductors for efficient catalytic energy conversion.}
}