Table 2 The table presents the cohesive energies and formation energies in units of eV per atom, with the values in parentheses given in kJ/mol per atom for various hydrogenation configurations
From: High-Tc 2D ambient BCS superconductors in hydrogenated transition-metal borides
Ecoh | M2B2H | M2B2H2 | M2B2H3 | M2B2H4 |
|---|---|---|---|---|
Sc | −4.47 | −5.01 | −5.38 | −5.74 |
Y | −3.41 | −3.96 | −4.38 | −4.81 |
V | −4.12 | −4.66 | −5.02 | −5.38 |
Nb | −3.32 | −3.86 | −4.29 | −4.73 |
Eform | M2B2H | M2B2H2 | M2B2H3 | M2B2H4 |
Sc | −0.2015 (−19.44) | −0.3458 (−33.35) | −0.2470 (−23.82) | −0.1674 (−16.14) |
Y | −0.4746 (−45.77) | −0.5812 (−56.06) | −0.5119 (−49.37) | −0.4597 (−44.34) |
V | −0.1780 (−17.17) | −0.3191 (−30.77) | −0.2158 (−20.82) | −0.1332 (−12.85) |
Nb | −0.3233 (31.18) | −0.4353 (−41.98) | −0.4015 (−38.73) | −0.3728 (−35.96) |
