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• W2056338967 abstract "Herein, we investigate the chemisorption of hydrogen on double wall carbon nanotubes (DWCNT) employing density functional theory and periodic boundary conditions. In agreement with recent investigations based on Lennard-Jones potentials, we found that the (n,m)@(n+9,m) combination is favored for tubes with small diameters. The C–H binding energies determined for the (16,0) single wall carbon nanotubes (SWCNT) are nearly identical to those computed for the (7,0)@(16,0) and (8,0)@(16,0) DWCNTs. For both of the latter we found that interlayer interaction modifies the band structure of the inner tube. In the case of hydrogenated DWCNTs, the electronic structure of the inner tube experiences very small changes at high coverages (50%). However, at lower hydrogen coverages (3%–25%) changes are observed in the electronic structure of the inner tube. In agreement with recent experimental results we conclude that, for heavily functionalized DWCNTs, the electronic properties of the inner tube remain unchanged. For zigzag SWCNTs, the band gap becomes larger upon increase in hydrogen coverage; at 50% of coverage the hydrogenated (16,0) SWCNT has a band gap of 3.38 eV. Finally, based on the fact that high coverages significantly elongate C–H bond distances, we propose that the hydrogenation coverage may be determined measuring the C–H vibrational modes." @default.
• W2056338967 created "2016-06-24" @default.
• W2056338967 creator A5049787097 @default.
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• W2056338967 date "2009-05-18" @default.
• W2056338967 modified "2023-10-10" @default.
• W2056338967 title "Hydrogenated double wall carbon nanotubes" @default.
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• W2056338967 cites W1966947048 @default.
• W2056338967 cites W1967454219 @default.
• W2056338967 cites W1967772521 @default.
• W2056338967 cites W1967942137 @default.
• W2056338967 cites W1976269998 @default.
• W2056338967 cites W1981368803 @default.
• W2056338967 cites W1987252253 @default.
• W2056338967 cites W1989615984 @default.
• W2056338967 cites W1992864993 @default.
• W2056338967 cites W1996960588 @default.
• W2056338967 cites W1997557175 @default.
• W2056338967 cites W2002217528 @default.
• W2056338967 cites W2003193361 @default.
• W2056338967 cites W2005043597 @default.
• W2056338967 cites W2008179636 @default.
• W2056338967 cites W2009644807 @default.
• W2056338967 cites W2011560654 @default.
• W2056338967 cites W2012978849 @default.
• W2056338967 cites W2017895351 @default.
• W2056338967 cites W2021275797 @default.
• W2056338967 cites W2022543222 @default.
• W2056338967 cites W2024372671 @default.
• W2056338967 cites W2026907619 @default.
• W2056338967 cites W2029778865 @default.
• W2056338967 cites W2030937795 @default.
• W2056338967 cites W2031212852 @default.
• W2056338967 cites W2033562345 @default.
• W2056338967 cites W2034683135 @default.
• W2056338967 cites W2035380038 @default.
• W2056338967 cites W2043325674 @default.
• W2056338967 cites W2043392442 @default.
• W2056338967 cites W2043970105 @default.
• W2056338967 cites W2044072689 @default.
• W2056338967 cites W2045506634 @default.
• W2056338967 cites W2045579967 @default.
• W2056338967 cites W2045596260 @default.
• W2056338967 cites W2052377363 @default.
• W2056338967 cites W2052637367 @default.
• W2056338967 cites W2060300317 @default.
• W2056338967 cites W2065569417 @default.
• W2056338967 cites W2076283512 @default.
• W2056338967 cites W2078323732 @default.
• W2056338967 cites W2078589233 @default.
• W2056338967 cites W2078755359 @default.
• W2056338967 cites W2079732766 @default.
• W2056338967 cites W2080330438 @default.
• W2056338967 cites W2082835754 @default.
• W2056338967 cites W2086705380 @default.
• W2056338967 cites W2086789816 @default.
• W2056338967 cites W2087169277 @default.
• W2056338967 cites W2090909372 @default.
• W2056338967 cites W2091726139 @default.
• W2056338967 cites W2104044022 @default.
• W2056338967 cites W2106958371 @default.
• W2056338967 cites W2114498958 @default.
• W2056338967 cites W2115489404 @default.
• W2056338967 cites W2119369993 @default.
• W2056338967 cites W2124045541 @default.
• W2056338967 cites W2124835719 @default.
• W2056338967 cites W2127847915 @default.
• W2056338967 cites W2136095846 @default.
• W2056338967 cites W2141704677 @default.
• W2056338967 cites W2148941593 @default.
• W2056338967 cites W2153566345 @default.
• W2056338967 cites W2160161631 @default.
• W2056338967 cites W2160738948 @default.
• W2056338967 cites W2162897396 @default.
• W2056338967 cites W2314067212 @default.
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• W2056338967 doi "https://doi.org/10.1063/1.3133947" @default.
• W2056338967 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19466852" @default.
• W2056338967 hasPublicationYear "2009" @default.
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