Table 1 The adsorption energies (Ea), total and local magnetic moments (MT, MNb1, MNb2) in the MoS2 MLs with Nb1-Nb2 codoping or only Nb2 doping.

From: Coexistence of valley polarization and Chern insulating states in MoS2 monolayers with n-p codoping

Doping Type

Site

Ea (eV)

MT (μB)

MNb1 (μB)

MNb2 (μB)

Nb1-Nb2 codoping

H

3.408

4.00

0.05

2.76

M

3.750

4.00

0.01

2.44

N

3.789

4.00

0.05

2.49

S

−0.065

3.80

0.09

2.37

Nb2 doping

M

2.485

5.00

/

2.53

  1. The most stable configurations are marked in bold.
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