Half-metallicity in edge-modified zigzag graphene nanoribbons

被引：648

作者：

Kan, Er-Jun ^{[1
,2
]}

Li, Zhenyu ^{[1
]}

Yang, Jinlong ^{[1
]}

Hou, J. G. ^{[1
]}

机构：

[1] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China

[2] Chinese Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2008年 / 130卷 / 13期

关键词：

24;

D O I：

10.1021/ja710407t

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Graphene is an important material with potential application in spintronics. Edge-modified zigzag graphene nanoribbons (ZGNR) are investigated with density functional theory. The modifications are realized by saturating the dangling edge bonds by different terminal groups, such as H, NH2, NO2, and CH3. Such modification has a significant impact on the ZGNR electronic structure. Half-metallicity is observed when ZGNR is terminated by NO2 groups at one edge and by CH3 groups on the other side. Free energy analysis suggests that edge-modification is a practical way in experiment to realize half-metallicity.

引用

页码：4224 / +

页数：3

共 23 条

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

Barone, Veronica ;

Hod, Oded ;

Scuseria, Gustavo E. .

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

[2] Graphene nano-ribbon electronics [J].

Chen, Zhihong ;

Lin, Yu-Ming ;

Rooks, Michael J. ;

Avouris, Phaedon .

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2007, 40 (02) :228-232

[3] Peculiar localized state at zigzag graphite edge [J].

Fujita, M ;

Wakabayashi, K ;

Nakada, K ;

Kusakabe, K .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1996, 65 (07) :1920-1923

[4] The rise of graphene [J].

Geim, A. K. ;

Novoselov, K. S. .

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

[5] Altering low-bias transport in zigzag-edge graphene nanostrips with edge chemistry [J].

Gunlycke, D. ;

Li, J. ;

Mintmire, J. W. ;

White, C. T. .

APPLIED PHYSICS LETTERS, 2007, 91 (11)

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

Han, Melinda Y. ;

Oezyilmaz, Barbaros ;

Zhang, Yuanbo ;

Kim, Philip .

PHYSICAL REVIEW LETTERS, 2007, 98 (20)

[7] Half-metallic graphene nanodots: A comprehensive first-principles theoretical study [J].

Hod, Oded ;

Barone, Veronica ;

Scuseria, Gustavo E. .

PHYSICAL REVIEW B, 2008, 77 (03)

[8] Edge effects in finite elongated graphene nanoribbons [J].

Hod, Oded ;

Peralta, Juan E. ;

Scuseria, Gustavo E. .

PHYSICAL REVIEW B, 2007, 76 (23)

[9]

Hod O, 2007, NANO LETT, V7, P2295, DOI [10.1021/nl0708922, 10.1021/nI0708922]

[10] Will zigzag graphene nanoribbon turn to half metal under electric field? [J].

Kan, Er-Jun ;

Li, Zhenyu ;

Yang, Jinlong ;

Hou, J. G. .

APPLIED PHYSICS LETTERS, 2007, 91 (24)

← 1 2 3 →