Self-catalyzed hydrogenation and dihydrogen adsorption on titanium carbide nanoparticles

Totally 17 H2 molecules are adsorbed on a metallocarbohedrene Ti8C12. Ti atoms on the surface of the nanocarbides are capable of coordinating with multiple dihydrogen ligands. The Ti atoms serve as catalyst to mediate the dissociation of H2 to form carbon hydrides.