Fig. 4From: Metal-Free Half-Metallicity in B-Doped gh-C3N4 Systemsa Schematic representations of the tetragonal 112-atomic supercell used to simulate different doping concentrations of BC1@gh-C3N4. b The spin-dependent total density of states of BC1@gh-C3N4 with different doping concentrations. The energy at the Fermi level is set to zeroBack to article page