Eb(H2)

dNi-CNC

dNi-H

dH-H

QNi

QC

QH-H

n = 1 - 2

n = 3 - 6

n = 1 - 2

n = 3 - 6

1H2-Ni-CNC

−1.068

1.89

1.558

-

0.84

-

0.61

−0.45

−0.042

2H2-Ni-CNC

−0.926

1.93

1.599

-

0.82

-

0.45

−0.39

0.099

3H2-Ni-CNC

−0.622

1.93

1.598

3.081

0.82

0.74

0.45

−0.39

0.099

4H2-Ni-CNC

−0.468

1.93

1.599

3.095

4.089

0.82

0.74

0.45

−0.40

0.091

5H2-Ni-CNC

−0.387

1.93

1.611

3.737

4.180

0.82

0.74

0.44

−0.40

0.099

6H2-Ni-CNC

−0.316

1.93

1.612

4.061

4.298

4.322

4.406

0.82

0.74

0.43

−0.40

0.100