Computational studies on carbon nanotube–graphene nanoribbon hybrids by density functional theory calculations
作者： N.L. Hadipour , A. Omidvar , M. Anafcheh
DOI: 10.1016/J.SCIENT.2013.05.018
关键词: Density functional theory 、 Isotropy 、 Carbon nanotube 、 Covalent bond 、 Nanotube 、 Electronic structure 、 Chemical physics 、 Graphene 、 Nanotechnology 、 Anisotropy 、 Materials science
摘要: … We have performed Density Functional Theory (DFT) calculations to investigate the influence of carbone nanotube (CNT) size on the properties of the electronic structure of various …
sci-hub.se 参考文章(21)
Zhen Yao, Henk W. Ch. Postma, Leon Balents, Cees Dekker, Carbon nanotube intramolecular junctions Nature. ,vol. 402, pp. 273- 276 ,(1999) , 10.1038/46241
Ralph G. Pearson, Electronic spectra and chemical reactivity Journal of the American Chemical Society. ,vol. 110, pp. 2092- 2097 ,(1988) , 10.1021/JA00215A013
Fabio Pichierri, Mohammad Khazaei, Yoshiyuki Kawazoe, Quantum-Chemical Design of Covalent Linkages for Interconnecting Carbon Nanotubes Materials Transactions. ,vol. 48, pp. 2148- 2151 ,(2007) , 10.2320/MATERTRANS.N-MRA2007861
Mohammad Khazaei, Sang Uck Lee, Fabio Pichierri, Yoshiyuki Kawazoe, Computational design of a rectifying diode made by interconnecting carbon nanotubes with peptide linkages Journal of Physical Chemistry C. ,vol. 111, pp. 12175- 12180 ,(2007) , 10.1021/JP0689767
O. Walker, P. Mutzenhardt, P. Tekely, D. Canet, Determination of Carbon-13 Chemical Shielding Tensor in the Liquid State by Combining NMR Relaxation Experiments and Quantum Chemical Calculations Journal of the American Chemical Society. ,vol. 124, pp. 865- 873 ,(2002) , 10.1021/JA0166702
A. K. Geim, K. S. Novoselov, The rise of graphene Nature Materials. ,vol. 6, pp. 183- 191 ,(2007) , 10.1038/NMAT1849
Jiří Czernek, An ab Initio Study of Hydrogen Bonding Effects on the 15N and 1H Chemical Shielding Tensors in the Watson−Crick Base Pairs Journal of Physical Chemistry A. ,vol. 105, pp. 1357- 1365 ,(2001) , 10.1021/JP003471G
Sumio Iijima, Helical microtubules of graphitic carbon Nature. ,vol. 354, pp. 56- 58 ,(1991) , 10.1038/354056A0
Huajian Gao, Yong Kong, Daxiang Cui, Cengiz S. Ozkan, Spontaneous insertion of DNA oligonucleotides into carbon nanotubes Nano Letters. ,vol. 3, pp. 471- 473 ,(2003) , 10.1021/NL025967A
M. Terrones, F. Banhart, N. Grobert, J.-C. Charlier, H. Terrones, P. M. Ajayan, Molecular Junctions by Joining Single-Walled Carbon Nanotubes Physical Review Letters. ,vol. 89, pp. 075505- 075505 ,(2002) , 10.1103/PHYSREVLETT.89.075505