Chemical functionalization of graphene

被引:353
作者
Boukhvalov, D. W. [1 ]
Katsnelson, M. I. [1 ]
机构
[1] Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 AJ Nijmegen, Netherlands
关键词
CARBON NANOTUBES; SEMIEMPIRICAL CALCULATIONS; HALF-METALLICITY; ATOMIC-HYDROGEN; CHEMISTRY; NANORIBBON; OXIDATION; STORAGE; LAYER; NANOPARTICLES;
D O I
10.1088/0953-8984/21/34/344205
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Experimental and theoretical results on chemical functionalization of graphene are reviewed. Using hydrogenated graphene as a model system, general principles of the chemical functionalization are formulated and discussed. It is shown that, as a rule, 100% coverage of graphene by complex functional groups (in contrast with hydrogen and fluorine) is unreachable. A possible destruction of graphene nanoribbons by fluorine is considered. The functionalization of infinite graphene and graphene nanoribbons by oxygen and by hydrofluoric acid is simulated step by step.
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页数:12
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共 181 条
[71]   Metastable structures and recombination pathways for atomic hydrogen on the graphite (0001) surface [J].
Hornekær, L ;
Sljivancanin, Z ;
Xu, W ;
Otero, R ;
Rauls, E ;
Stensgaard, I ;
Lægsgaard, E ;
Hammer, B ;
Besenbacher, F .
PHYSICAL REVIEW LETTERS, 2006, 96 (15)
[72]   Suppression of spin polarization in graphene nanoribbons by edge defects and impurities [J].
Huang, Bing ;
Liu, Feng ;
Wu, Jian ;
Gu, Bing-Lin ;
Duan, Wenhui .
PHYSICAL REVIEW B, 2008, 77 (15)
[73]  
IJIMA S, 1993, NATURE, V363, P603
[74]   First-principles study of the stability of BN and C [J].
Janotti, A ;
Wei, SH ;
Singh, DJ .
PHYSICAL REVIEW B, 2001, 64 (17)
[75]   DFT investigation of the adsorption of atomic hydrogen on a cluster-model graphite surface [J].
Jeloaica, L ;
Sidis, V .
CHEMICAL PHYSICS LETTERS, 1999, 300 (1-2) :157-162
[76]   Reentrant semiconducting behavior of zigzag carbon nanotubes at substitutional doping by oxygen dimers [J].
Jhi, SH ;
Louie, SG ;
Cohen, ML .
PHYSICAL REVIEW LETTERS, 2005, 95 (22)
[77]   First principles study of magnetism in nanographenes [J].
Jiang, De-En ;
Sumpter, Bobby G. ;
Dai, Sheng .
JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (12)
[78]   Half-metallicity in edge-modified zigzag graphene nanoribbons [J].
Kan, Er-Jun ;
Li, Zhenyu ;
Yang, Jinlong ;
Hou, J. G. .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 130 (13) :4224-+
[79]   Growth evolution and decay properties of the abnormally switched domains in LiNbO3 crystals [J].
Kan, Yi ;
Bo, Huifeng ;
Lu, Xiaomei ;
Cai, Wei ;
Liu, Yunfei ;
Zhu, Jinsong .
APPLIED PHYSICS LETTERS, 2008, 92 (17)
[80]   Graphite and graphene as perfect spin filters [J].
Karpan, V. M. ;
Giovannetti, G. ;
Khomyakov, P. A. ;
Talanana, M. ;
Starikov, A. A. ;
Zwierzycki, M. ;
van den Brink, J. ;
Brocks, G. ;
Kelly, P. J. .
PHYSICAL REVIEW LETTERS, 2007, 99 (17)