Table 2 Mulliken population

From: An atom-to-circuit modeling approach to all-2D metal–insulator–semiconductor field-effect transistors

d1 (Å)

C B

C 0

Δq

3.0

3.99752

3.98684

0.01068

3.2

3.99608

3.99392

0.00216

3.4

3.99796

3.99648

0.00148

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