BN White Graphene with "Colorful" Edges: The Energies and Morphology

被引：305

作者：

Liu, Yuanyue

Bhowmick, Somnath

Yakobson, Boris I. ^{[1
]}

机构：

[1] Rice Univ, Dept Mech Engn & Mat Sci, Dept Chem, Houston, TX 77005 USA

来源：

NANO LETTERS | 2011年 / 11卷 / 08期

关键词：

Boron-nitride; graphene; edges; interfaces; bandgap; magnetism; BORON-NITRIDE NANOTUBES; SURFACE;

D O I：

10.1021/nl2011142

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Interfaces play a key role in low dimensional materials like graphene or its boron nitrogen analog, white graphene. The edge energy of hexagonal boron nitride (h-BN) has not been determined as its lower symmetry makes it difficult to separate the opposite B-rich and N-rich zigzag sides. We report unambiguous energy values for arbitrary edges of BN, including the dependence on the elemental chemical potentials of B and N species. A useful manifestation of the additional Gibbs degree of freedom in the binary system, this dependence offers a way to control the morphology of pure BN or its carbon inclusions and to engineer their electronic and magnetic properties.

引用

收藏

页码：3113 / 3116

页数：4

相关论文

共 25 条

[11] Density-functional study of edge stress in graphene [J].

Jun, Sukky .

PHYSICAL REVIEW B, 2008, 78 (07)

[12] Thermal-induced shape evolution from uniform triangular to hexagonal r-BN nanoplates [J].

Li, Menghua ;

Xu, Liqiang ;

Sun, Changhui ;

Ju, Zhicheng ;

Qian, Yitai .

JOURNAL OF MATERIALS CHEMISTRY, 2009, 19 (43) :8086-8091

[13] 2 THEOREMS ON THE HUBBARD-MODEL [J].

LIEB, EH .

PHYSICAL REVIEW LETTERS, 1989, 62 (10) :1201-1204

[14] Graphene Edge from Armchair to Zigzag: The Origins of Nanotube Chirality? [J].

Liu, Yuanyue ;

Dobrinsky, Alex ;

Yakobson, Boris I. .

PHYSICAL REVIEW LETTERS, 2010, 105 (23)

[15] Selective Sputtering and Atomic Resolution Imaging of Atomically Thin Boron Nitride Membranes [J].

Meyer, Jannik C. ;

Chuvilin, Andrey ;

Algara-Siller, Gerardo ;

Biskupek, Johannes ;

Kaiser, Ute .

NANO LETTERS, 2009, 9 (07) :2683-2689

[16] Graphene Analogues of BN: Novel Synthesis and Properties [J].

Nag, Angshuman ;

Raidongia, Kalyan ;

Hembram, Kailash P. S. S. ;

Datta, Ranjan ;

Waghmare, Umesh V. ;

Rao, C. N. R. .

ACS NANO, 2010, 4 (03) :1539-1544

[17] Formation energy of native defects in BN nanotubes:: an ab initio study [J].

Piquini, P ;

Baierle, RJ ;

Schmidt, TM ;

Fazzio, A .

NANOTECHNOLOGY, 2005, 16 (06) :827-831

[18] Origin of half-semimetallicity induced at interfaces of C-BN heterostructures [J].

Pruneda, J. M. .

PHYSICAL REVIEW B, 2010, 81 (16)

[19] Consistent methodology for calculating surface and interface energies [J].

Rapcewicz, K ;

Chen, B ;

Yakobson, B ;

Bernholc, J .

PHYSICAL REVIEW B, 1998, 57 (12) :7281-7291

[20] THEORY OF GRAPHITIC BORON-NITRIDE NANOTUBES [J].

RUBIO, A ;

CORKILL, JL ;

COHEN, ML .

PHYSICAL REVIEW B, 1994, 49 (07) :5081-5084