CO

CO2

System

Atomsite

Bondsite

Vacantsite

Atomsite

Bondsite

Vacantsite

50

−0.23

−0.27

−0.26

−0.37

−0.36

−0.27

90

−0.22

−0.16

−0.23

−0.18

−0.12

−0.20

55

−0.12

−0.08

−0.13

−0.09

−0.14

−0.28

66

−0.14

−0.22

−0.14

−0.05

−0.20

−0.17