System

E_b(H₂)

d_Ni-CNC

d_Ni-Ni

QNi

Q_C

Q_H-H

d_H-H

d_H-H

Capacity/wt.%

n = 1 - 2

n = 3 - 6

2H₂-Ni₂-CNC

−1.057

1.873

1.891

2.477

0.475

0.475

−0.712

−0.066

0.842

2.084

4H₂-Ni₂-CNC

−0.820

1.913

1.912

2.786

0.378

0.375

−0.639

0.217

0.815

4.082

6H₂-Ni₂-CNC

−0.546

1.913

1.913

2.784

0.375

0.380

−0.641

0.230

0.816

0.743

6.001

8H₂-Ni₂-CNC

−0.416

1.913

2.785

0.391

0.394

−0.648

0.226

0.815

0.744

7.845

10H₂-Ni₂-CNC

−0.333

1.913

2.779

0.395

0.391

−0.651

0.225

0.814

0.743

9.617

12H₂-Ni₂-CNC

−0.278

1.913

2.778

0.395

0.395

−0.652

0.226

0.815

0.743

11.323