| dc.creator | Coluci, VR | |
| dc.creator | Braga, SF | |
| dc.creator | Baughman, RH | |
| dc.creator | Galvao, DS | |
| dc.date | 2007 | |
| dc.date | MAR | |
| dc.date | 2014-11-17T19:14:20Z | |
| dc.date | 2015-11-26T16:45:57Z | |
| dc.date | 2014-11-17T19:14:20Z | |
| dc.date | 2015-11-26T16:45:57Z | |
| dc.date.accessioned | 2018-03-28T23:31:39Z | |
| dc.date.available | 2018-03-28T23:31:39Z | |
| dc.identifier | Physical Review B. American Physical Soc, v. 75, n. 12, 2007. | |
| dc.identifier | 1098-0121 | |
| dc.identifier | WOS:000245330200081 | |
| dc.identifier | 10.1103/PhysRevB.75.125404 | |
| dc.identifier | http://www.repositorio.unicamp.br/jspui/handle/REPOSIP/80915 | |
| dc.identifier | http://www.repositorio.unicamp.br/handle/REPOSIP/80915 | |
| dc.identifier | http://repositorio.unicamp.br/jspui/handle/REPOSIP/80915 | |
| dc.identifier.uri | http://repositorioslatinoamericanos.uchile.cl/handle/2250/1274377 | |
| dc.description | Classical grand-canonical Monte Carlo simulations were performed to investigate the equilibrium hydrogen storage capacity of carbon nanoscrolls. The results show that hydrogen molecules can be absorbed in the internal cavity as well as on the external surface of the scroll when the interlayer spacing is less than 4.4 A. When the interlayer spacing is increased to 6.4 A, by assuming spacing increase due to intercalation of other species, the hydrogen molecules can also be incorporated in the interlayer galleries, doubling the gravimetric storage capacity and reaching 5.5 wt % hydrogen per weight carbon at 150 K and 1 MPa. Our results showed that intercalated carbon nanoscrolls may be a promissing material for hydrogen storage. | |
| dc.description | 75 | |
| dc.description | 12 | |
| dc.language | en | |
| dc.publisher | American Physical Soc | |
| dc.publisher | College Pk | |
| dc.publisher | EUA | |
| dc.relation | Physical Review B | |
| dc.relation | Phys. Rev. B | |
| dc.rights | aberto | |
| dc.source | Web of Science | |
| dc.subject | Monte-carlo Simulations | |
| dc.subject | Graphite Nanofibers | |
| dc.subject | Nanotubes | |
| dc.subject | Adsorption | |
| dc.subject | H-2 | |
| dc.subject | Nanostructures | |
| dc.subject | Physisorption | |
| dc.subject | Route | |
| dc.title | Prediction of the hydrogen storage capacity of carbon nanoscrolls | |
| dc.type | Artículos de revistas | |
