On the H2 interactions with transition metal adatoms supported on graphene: a systematic density functional study

Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C7CP07995H, PaperMontserrat Manade, Francesc Vines, Adria Gil, Francesc Illas The attachment of H2 to the full set of transition metal (TM) adatoms supported on graphene is studied by using density functional theory including dispersion, identifying physisorbed, Kubas, and dissociated states. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - January 19, 2018 Category: Chemistry Authors: Montserrat Manade Source Type: research