Fig. 5: Spin-polarized DFT-calculations for the magnetism of samples. | Nature Communications

Fig. 5: Spin-polarized DFT-calculations for the magnetism of samples.

From: Strong ferromagnetism of g-C3N4 achieved by atomic manipulation

Fig. 5: Spin-polarized DFT-calculations for the magnetism of samples.The alternative text for this image may have been generated using AI.

The corresponding top-view of spin charge density of a g-C3N4 with N defects. b g-C3N4 with N defects and in-plane bridging -B(OH)- groups. c g-C3N4 with N defects and terminal -B(OH)2 groups. d g-C3N4 with N defects and sp3 hybridized -N(OH)- groups. The yellow and blue equipotential profiles represent the majority-spin up and minority-spin down, respectively. The values in the figure correspond to the magnetic moment of the supercell.

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