Fig. 1 | npj Computational Materials

Fig. 1

From: Excitation to defect-bound band edge states in two-dimensional semiconductors and its effect on carrier transport

Fig. 1

Density states and formation energies of defects. Density of states and formation energies of a a typical intrinsic defect, VS and b typical extrinsic dopants, ReMo and NbMo in 2D MoS2. Acceptor and donor states are labeled with A and D in DOS, respectively. The local DOS for individual Re and Nb are also shown with a factor of 10 (red lines). Fermi level is set to 0 eV. The possible valences (noted by red number) of defects are fully considered for their formation energies under Mo- and S-rich condition

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