Table 2 HOMO-LUMO gaps for various complexes.

From: Fluorographene based Ultrasensitive Ammonia Sensor

 

Complex

HOMO (eV)

LUMO (eV)

Band-gap (eV)

1

FG-NH3

−0.08023

−0.20139

0.121

2

Graphene-NH3

−0.07987

−0.2022

0.122

3

FG-NH4+

−0.18358

−0.30316

0.119

4

Graphene-NH4+

−0.16822

−0.30455

0.136

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