 Graphitic carbon nitride Gc3N4 is a promising material for use in solar fuel production. However, its performance is limited by the rapid recombination of electrons and low reaction dynamics. Boron Ib was introduced into the large cavities between trias-trias in units in Gc3N4 through coordination with two coordinate nitrogen N atoms. This modification improved the electron excitation from N2Px2Py to be 2Px2Py with the same orbital direction in B-doped Gc3N4, which increased the charge transfer and localization, and thus the reaction dynamics. Additionally, the atoms doping changed the absorption of carbon monoxide, CO, intermediate, and acted as active sites for methane, CH4, production. As a result, the optimal sample of 1% B-slash Gc3N4 exhibited better selectivity for methane with approximately 32 times higher yield than that of pure Gc3N4. This article was authored by Junwei Fu, Kong Liu, Kersen Zhang, and others. We are article.tv, links in the description below.