Table 1: Adsorption energy of H for many pure MWCNTs systems and Mg-MWCNTs systems.

StructuresMWCNTs systems
adsorption energy
(Kcal/mol)
Mg-MWCNTs systems
adsorption energy
(Kcal/mol)

Site 1−2.01141053−2.03960997
Site 2−0.84135214−2.03813645
Site 3−0.8417632−0.90038241
Site 4−0.81573871−0.86738694
Site 5−0.79840829−0.86681624
Site 6−0.78346106−0.86253083
Site 7−0.72900349−0.87243483
Site 8−0.84004276−0.84635485
Site 9−0.72515658−0.84910777
Site 10−0.51424081−0.84481357