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. 2018 Dec 3;3(12):16416–16423. doi: 10.1021/acsomega.8b02605

Figure 4.

Figure 4

Electronic band structures determined at the vdW-DF/double zeta plus polarization (DZP) level, along with the respective PDOS plots for (a) H–BP, (b) F–BP, (c) H–BAs, and (d) F–BAs. The Fermi energy is set to zero.