Metal-Free Doping Strategies in Two-Dimensional Carbon Nitride C$_4$N$_2$ for Enhanced Hydrogen Evolution Catalysis

This repository contains DFT-optimized structures of the two-dimensional material C4N2, including pristine, B-, Si and P-doped configurations, and H-adsorbed models. The data corresponds to the following article: Title: Metal-Free Doping Strategies in Two-Dimensional Carbon Nitride C4N2 for Enhanced Hydrogen Evolution CatalysisAuthors: Bruno Ipaves, João F Justo, James M de Almeida, Lucy VC Assali, Pedro Alves da Silva AutretoPublished in: [Journal name], [year]DOI: https://doi.org/xxxxx