Figure 3

2BN/12 G/2BN hybrid system, with the unit cell shown at the bottom. Black circles indicate on-site energy values from post-processing DFT calculations, while the blue line is the exponential-type fitting proposed, \({V}_{{\rm{int}}}(x)\).

2BN/12 G/2BN hybrid system, with the unit cell shown at the bottom. Black circles indicate on-site energy values from post-processing DFT calculations, while the blue line is the exponential-type fitting proposed, \({V}_{{\rm{int}}}(x)\).