%0 Journal Article %1 WOS:000229666000090 %A Fagan, SB %A Guerini, S %A Mendes, J %A Lemos, V %C THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND %D 2005 %I ELSEVIER SCI LTD %J MICROELECTRONICS JOURNAL %K Ab bundles; calculation} carbon electronic initio intercalation; nanotube properties; single-wall {lithium %N 3-6 %P 499-501 %R 10.1016/j.mejo.2005.02.059 %T Lithium intercalation into single-wall carbon nanotube bundles %V 36 %X The insertion of lithium atoms in the channels of the single-wall carbon nanotube (SWNT) bundles is investigated using an ab initio calculation. The relaxed structure as well as the electronic band structure were obtained. Results reveals that Li insertion modifies the band structure by shifting the Fermi level to a higher density of states region, and this shift scales with the rate of insertion. The Li/SWNT band structure allows to predict strongly modified electronic properties. (c) 2005 Elsevier Ltd. All rights reserved.

@article{WOS:000229666000090, abstract = {The insertion of lithium atoms in the channels of the single-wall carbon nanotube (SWNT) bundles is investigated using an ab initio calculation. The relaxed structure as well as the electronic band structure were obtained. Results reveals that Li insertion modifies the band structure by shifting the Fermi level to a higher density of states region, and this shift scales with the rate of insertion. The Li/SWNT band structure allows to predict strongly modified electronic properties. (c) 2005 Elsevier Ltd. All rights reserved.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, author = {Fagan, SB and Guerini, S and Mendes, J and Lemos, V}, biburl = {https://www.bibsonomy.org/bibtex/228c7abb197197bbe6c09e5858aad5774/ppgfis_ufc_br}, doi = {10.1016/j.mejo.2005.02.059}, interhash = {f73de85c9b460a94f975ea40f6a275e0}, intrahash = {28c7abb197197bbe6c09e5858aad5774}, issn = {0026-2692}, journal = {MICROELECTRONICS JOURNAL}, keywords = {Ab bundles; calculation} carbon electronic initio intercalation; nanotube properties; single-wall {lithium}, note = {5th International Conference on Low Dimensional Structures and Devices (LDSD 2004), Cancun, MEXICO, DEC 12-17, 2004}, number = {3-6}, organization = {CINVESTAV; CLAF; USAF Off Sci Res; USAF Res Lab; European Off Aerosp Res & Dev}, pages = {499-501}, publisher = {ELSEVIER SCI LTD}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Lithium intercalation into single-wall carbon nanotube bundles}, tppubtype = {article}, volume = 36, year = 2005 }