H_2 Dissociative Adsorption at the Armchair Edges of Graphite
| dc.creator | Dino, Wilson Agerico | |
| dc.creator | Miura, Yoshio | |
| dc.creator | Nakanishi, Hiroshi | |
| dc.creator | Kasai, Hideaki | |
| dc.creator | Sugimoto, Tsuyoshi | |
| dc.creator | Kondo, Takuya | |
| dc.date | 2004-08-05 | |
| dc.date.accessioned | 2026-07-07T02:59:35Z | |
| dc.date.available | 2026-07-07T02:59:35Z | |
| dc.description | We investigate and discuss how hydrogen behaves at the edges of a graphite sheet, in particular the armchair edge. Our density functional theory-based calculations results show that, in contrast to the zigzag edge [cf., e-J. Surf. Sci. Nanotech. 2 (2004) 77], regardless of orientation, there is an activation barrier hindering H_2 dissociation at the armchair edges. And once they do get dissociatively adsorbed at the armchair edges, we find that it would be extremely hard to desorb the H from their adsorption sites at the armchair edges. Furthermore, we also found that, consistent with our earlier conclusions [cf., J. Phys. Soc. Jpn. 72 (2003) 1867], it is unlikely that we would find a whole H_2 in between plain graphite sheets. | |
| dc.description | 4 pages, 5 figures, preprint | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0408108 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0408108 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/24570 | |
| dc.subject | Materials Science | |
| dc.subject | Other Condensed Matter | |
| dc.title | H_2 Dissociative Adsorption at the Armchair Edges of Graphite | |
| dc.type | text |