Table 1 Charge transition levels ϵ0/−1 between neutral and negatively charged states and molecular adsorption energies Eads (when applicable)

From: Addressing the effects of gas adsorption on monolayers beyond charge population analysis: the case of WS2

Configuration

ϵ0/−1 (eV)

Eads (meV)

  

q = 0

q = − 1

VS

1.75 (8)

−

−

⊛ +O2

2.15 (4)

−100

>0

VS +O2

1.69 (9)

−150

−240

VS +N2

1.75 (6)

−140

−150

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