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

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2009年 / 21卷 / 34期

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.

引用

页数：12

共 181 条

[1] Nanotubes from carbon [J].

Ajayan, PM .

CHEMICAL REVIEWS, 1999, 99 (07) :1787-1799

[2] Hydrogen adsorption on graphite (0001) surface: A combined spectroscopy-density-functional-theory study [J].

Allouche, A ;

Ferro, Y ;

Angot, T ;

Thomas, C ;

Layet, J-M .

JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (12)

[3]

[Anonymous], [No title captured]

[4] Magnetic ordering in hydrofullerite C60H24 [J].

Antonov, VE ;

Bashkin, IO ;

Khasanov, SS ;

Moravsky, AP ;

Morozov, YG ;

Shulga, YM ;

Ossipyan, YA ;

Ponyatovsky, EG .

JOURNAL OF ALLOYS AND COMPOUNDS, 2002, 330 :365-368

[5]

ARTACHO EE, 2004, SIESTA VERSION 1 3

[6] High-capacity hydrogen storage by metallized graphene [J].

Ataca, C. ;

Akturk, E. ;

Ciraci, S. ;

Ustunel, H. .

APPLIED PHYSICS LETTERS, 2008, 93 (04)

[7] Chemically functionalized carbon nanotubes [J].

Balasubramanian, K ;

Burghard, M .

SMALL, 2005, 1 (02) :180-192

[8] Covalent surface chemistry of single-walled carbon nanotubes [J].

Banerjee, S ;

Hemraj-Benny, T ;

Wong, SS .

ADVANCED MATERIALS, 2005, 17 (01) :17-29

[9] Electronic structure and stability of semiconducting graphene nanoribbons [J].

Barone, Veronica ;

Hod, Oded ;

Scuseria, Gustavo E. .

NANO LETTERS, 2006, 6 (12) :2748-2754

[10] Hydrogen on graphene: Electronic structure, total energy, structural distortions and magnetism from first-principles calculations [J].

Boukhvalov, D. W. ;

Katsnelson, M. I. ;

Lichtenstein, A. I. .

PHYSICAL REVIEW B, 2008, 77 (03)

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