Simulation of the structural and thermal properties of tubular nanocrystallites of magnesium oxide

被引：8

作者：

Enyashin, A. N.

Seifert, G.

Ivanovskii, A. L.

机构：

[1] Russian Acad Sci, Inst Solid State Chem, Ural Div, Ekaterinburg 620219, Russia

[2] Tech Univ Dresden, Inst Phys Chem & Electrochem, D-01062 Dresden, Germany

来源：

PHYSICS OF THE SOLID STATE | 2006年 / 48卷 / 04期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1134/S1063783406040299

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The morphology, energy stability, and thermal behavior of a family of MgO tubular nanocrystallites are investigated within the framework of the pair potential model. It is found that an increase in the number of layers forming walls of hollow MgO nanocrystallites of prismatic morphology results in an abrupt enhancement of their stability. It is concluded that the properties of these nanostructures should be stable over a wide range of crystallite sizes.

引用

收藏

页码：801 / 805

页数：5

相关论文

共 34 条

[1] Limiting properties of (MgO)n and (CaO)n clusters [J].

Bawa, F ;

Panas, I .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2001, 3 (15) :3042-3047

[2] Structural and electronic properties of MgO nanotube clusters [J].

Bilalbegovic, G .

PHYSICAL REVIEW B, 2004, 70 (04) :045407-1

[3] Calculating the vibrational thermodynamic properties of bulk oxides using lattice dynamics and molecular dynamics [J].

Cooke, DJ ;

Parker, SC ;

Osguthorpe, DJ .

PHYSICAL REVIEW B, 2003, 67 (13)

[4] Theoretical study of the structural and electronic properties of GaSe nanotubes [J].

Cote, M ;

Cohen, ML ;

Chadi, DJ .

PHYSICAL REVIEW B, 1998, 58 (08) :R4277-R4280

[5] A simple protocol for bulk synthesis of TiC hollow spheres from carbon nanotubes [J].

Gu, YL ;

Chen, LY ;

Li, ZF ;

Qian, YT ;

Zhang, WQ .

CARBON, 2004, 42 (01) :235-238

[6] TI8C12+-METALLO-CARBOHEDRENES - A NEW CLASS OF MOLECULAR CLUSTERS [J].

GUO, BC ;

KERNS, KP ;

CASTLEMAN, AW .

SCIENCE, 1992, 255 (5050) :1411-1413

[7] Elastic properties of C and BxCyNz composite nanotubes [J].

Hernandez, E ;

Goze, C ;

Bernier, P ;

Rubio, A .

PHYSICAL REVIEW LETTERS, 1998, 80 (20) :4502-4505

[8]

Ivanovskaya V V., 2003, Internet Electron. J. Mol. Des, V2, P499

[9] Tubular structures of titanium disulfide TiS2 [J].

Ivanovskaya, VV ;

Seifert, G .

SOLID STATE COMMUNICATIONS, 2004, 130 (3-4) :175-180

[10] Electronic properties of single-walled V2O5 nanotubes [J].

Ivanovskaya, VV ;

Enyashin, AN ;

Sofronov, AA ;

Makurin, YN ;

Medvedeva, NI ;

Ivanovskii, AL .

SOLID STATE COMMUNICATIONS, 2003, 126 (09) :489-493

← 1 2 3 4 →