dc.contributor.author |
Garau Rosselló, Carolina
|
|
dc.contributor.author |
Frontera Beccaria, Antonio
|
|
dc.contributor.author |
Quiñonero Santiago, David
|
|
dc.contributor.author |
Costa Torres, Antonio
|
|
dc.contributor.author |
Ballester Balaguer, Pablo José
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|
dc.contributor.author |
Deyà Serra, Pere Maria
|
|
dc.date.accessioned |
2018-09-25T10:34:34Z |
|
dc.identifier.uri |
http://hdl.handle.net/11201/147651 |
|
dc.description.abstract |
[eng] Theoretical investigations on single-walled carbon nanotubes (SWCNT) have been carried out using ab initio calculations at the HF/4-31G and B3LYP/3-21G//HF/3-21G levels of theory. Several junctions between different size nanotubes have been constructed with the insertion of pentagon-heptagon pairs into the perfect hexagonal lattice. The structural and energetic characteristics of the junctions are reported. |
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dc.format |
application/pdf |
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dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1016/j.chemphys.2004.06.022 |
|
dc.relation.ispartof |
Chemical Physics, 2004, vol. 303, p. 265-270 |
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dc.subject.classification |
54 - Química |
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dc.subject.other |
54 - Chemistry. Crystallography. Mineralogy |
|
dc.title |
Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study |
|
dc.type |
info:eu-repo/semantics/article |
|
dc.type |
info:eu-repo/semantics/acceptedVersion |
|
dc.date.updated |
2018-09-25T10:34:34Z |
|
dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2075-01-01 |
|
dc.embargo |
2075-01-01 |
|
dc.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
|
dc.identifier.doi |
https://doi.org/10.1016/j.chemphys.2004.06.022 |
|