Structural and Electronic Properties of Oxidized Graphene

被引：477

作者：

Yan, Jia-An ^{[1
]}

Xian, Lede ^{[1
]}

Chou, M. Y. ^{[1
]}

机构：

[1] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA

来源：

PHYSICAL REVIEW LETTERS | 2009年 / 103卷 / 08期

基金：

美国国家科学基金会;

关键词：

GRAPHITE OXIDE; SHEETS; NANOSHEETS; MODEL;

D O I：

10.1103/PhysRevLett.103.086802

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have systematically investigated the effect of oxidation on the structural and electronic properties of graphene based on first-principles calculations. Energetically favorable atomic configurations and building blocks are identified, which contain epoxide and hydroxyl groups in close proximity with each other. Different arrangements of these units yield a local-density approximation band gap over a range of a few eV. These results suggest the possibility of creating and tuning the band gap in graphene by varying the oxidation level and the relative amount of epoxide and hydroxyl functional groups on the surface.

引用

页数：4

共 27 条

[1] Modeling of graphite oxide [J].

Boukhvalov, D. W. ;

Katsnelson, M. I. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 130 (32) :10697-10701

[2] Synthesis and solid-state NMR structural characterization of 13C-labeled graphite oxide [J].

Cai, Weiwei ;

Piner, Richard D. ;

Stadermann, Frank J. ;

Park, Sungjin ;

Shaibat, Medhat A. ;

Ishii, Yoshitaka ;

Yang, Dongxing ;

Velamakanni, Aruna ;

An, Sung Jin ;

Stoller, Meryl ;

An, Jinho ;

Chen, Dongmin ;

Ruoff, Rodney S. .

SCIENCE, 2008, 321 (5897) :1815-1817

[3] Epitaxial graphene [J].

de Heer, Walt A. ;

Berger, Claire ;

Wu, Xiaosong ;

First, Phillip N. ;

Conrad, Edward H. ;

Li, Xuebin ;

Li, Tianbo ;

Sprinkle, Michael ;

Hass, Joanna ;

Sadowski, Marcin L. ;

Potemski, Marek ;

Martinez, Gerard .

SOLID STATE COMMUNICATIONS, 2007, 143 (1-2) :92-100

[4] Large-area ultrathin films of reduced graphene oxide as a transparent and flexible electronic material [J].

Eda, Goki ;

Fanchini, Giovanni ;

Chhowalla, Manish .

NATURE NANOTECHNOLOGY, 2008, 3 (05) :270-274

[5] Control of Graphene's Properties by Reversible Hydrogenation: Evidence for Graphane [J].

Elias, D. C. ;

Nair, R. R. ;

Mohiuddin, T. M. G. ;

Morozov, S. V. ;

Blake, P. ;

Halsall, M. P. ;

Ferrari, A. C. ;

Boukhvalov, D. W. ;

Katsnelson, M. I. ;

Geim, A. K. ;

Novoselov, K. S. .

SCIENCE, 2009, 323 (5914) :610-613

[6] The rise of graphene [J].

Geim, A. K. ;

Novoselov, K. S. .

NATURE MATERIALS, 2007, 6 (03) :183-191

[7] A chemical route to graphene for device applications [J].

Gilje, Scott ;

Han, Song ;

Wang, Minsheng ;

Wang, Kang L. ;

Kaner, Richard B. .

NANO LETTERS, 2007, 7 (11) :3394-3398

[8]

Giovannetti G, 2007, PHYS REV B, V76, DOI 10.1103/PhysRevB.76.073103

[9] Electronic transport properties of individual chemically reduced graphene oxide sheets [J].

Gomez-Navarro, Cristina ;

Weitz, R. Thomas ;

Bittner, Alexander M. ;

Scolari, Matteo ;

Mews, Alf ;

Burghard, Marko ;

Kern, Klaus .

NANO LETTERS, 2007, 7 (11) :3499-3503

[10] Energy band-gap engineering of graphene nanoribbons [J].

Han, Melinda Y. ;

Oezyilmaz, Barbaros ;

Zhang, Yuanbo ;

Kim, Philip .

PHYSICAL REVIEW LETTERS, 2007, 98 (20)

← 1 2 3 →