Effects of geometric structure, orientation and size on structural stability and thermal behavior of zinc oxide nanowires

Su, Chien-Chan; Chen, Jun-Liang

doi:10.1016/J.MATERRESBULL.2011.05.035

Title: Effects of geometric structure, orientation and size on structural stability and thermal behavior of zinc oxide nanowires

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Abstract

Highlights: {yields} The structural stability, orientation effect and melting characteristic of zinc oxide (ZnO) nanowires are simulated by using the molecular dynamics with many-body tightbinding potential. {yields} The nanowire with a hexagonal cross section is more stable than that with other cross section type, namely, a rectangular, triangular, rhombohedral, octagonal, and circular cross section. {yields} The structural stability and melting temperature of a nanowire is sensitive to its diameter because of the surface energy and unfavorable coordination. -- Abstract: The structural stability, orientation effect and melting characteristic of zinc oxide (ZnO) nanowires are simulated by using the molecular dynamics with many-body tightbinding potential. The structural stability is affected by the geometric shape of the cross section of a nanowire. The nanowire with a hexagonal cross section is more stable than that with another cross section type, namely, a rectangular, triangular, rhombohedral, octagonal, and circular cross section. The structural stability and melting temperature of a nanowire is sensitive to its diameter because of the surface energy and unfavorable coordination. Remarkably, it is observed that hexagonal ZnO nanowires transform to metastable circular-type structures at temperatures lower than the melting point.

Authors:

Su, Chien-Chan ^[1]; Chen, Jun-Liang ^[1]

Department of Mechanical Engineering, WuFeng University, Minsyong, Chiayi 62153, Taiwan (China)

Publication Date:: Sat Oct 15 00:00:00 EDT 2011

OSTI Identifier:: 22210072

Resource Type:: Journal Article

Journal Name:: Materials Research Bulletin

Additional Journal Information:: Journal Volume: 46; Journal Issue: 10; Other Information: Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0025-5408

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; CROSS SECTIONS; MELTING POINTS; MICROSTRUCTURE; MOLECULAR DYNAMICS METHOD; QUANTUM WIRES; SIMULATION; STABILITY; SURFACE ENERGY; TRIGONAL LATTICES; ZINC OXIDES

Citation Formats


                    Su, Chien-Chan, and Chen, Jun-Liang. Effects of geometric structure, orientation and size on structural stability and thermal behavior of zinc oxide nanowires.  United States: N. p., 2011. 
        Web.  doi:10.1016/J.MATERRESBULL.2011.05.035.

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                    Su, Chien-Chan, & Chen, Jun-Liang. Effects of geometric structure, orientation and size on structural stability and thermal behavior of zinc oxide nanowires.  United States.  https://doi.org/10.1016/J.MATERRESBULL.2011.05.035

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                    Su, Chien-Chan, and Chen, Jun-Liang. 2011.  
        "Effects of geometric structure, orientation and size on structural stability and thermal behavior of zinc oxide nanowires".  United States.  https://doi.org/10.1016/J.MATERRESBULL.2011.05.035.

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@article{osti_22210072,

  title        = {Effects of geometric structure, orientation and size on structural stability and thermal behavior of zinc oxide nanowires},

  author       = {Su, Chien-Chan and Chen, Jun-Liang},

  abstractNote = {Highlights: {yields} The structural stability, orientation effect and melting characteristic of zinc oxide (ZnO) nanowires are simulated by using the molecular dynamics with many-body tightbinding potential. {yields} The nanowire with a hexagonal cross section is more stable than that with other cross section type, namely, a rectangular, triangular, rhombohedral, octagonal, and circular cross section. {yields} The structural stability and melting temperature of a nanowire is sensitive to its diameter because of the surface energy and unfavorable coordination. -- Abstract: The structural stability, orientation effect and melting characteristic of zinc oxide (ZnO) nanowires are simulated by using the molecular dynamics with many-body tightbinding potential. The structural stability is affected by the geometric shape of the cross section of a nanowire. The nanowire with a hexagonal cross section is more stable than that with another cross section type, namely, a rectangular, triangular, rhombohedral, octagonal, and circular cross section. The structural stability and melting temperature of a nanowire is sensitive to its diameter because of the surface energy and unfavorable coordination. Remarkably, it is observed that hexagonal ZnO nanowires transform to metastable circular-type structures at temperatures lower than the melting point.},

  doi          = {10.1016/J.MATERRESBULL.2011.05.035},

  url          = {https://www.osti.gov/biblio/22210072},
  journal      = {Materials Research Bulletin},

  issn         = {0025-5408},

  number       = 10,

  volume       = 46,

  place        = {United States},

  year         = {Sat Oct 15 00:00:00 EDT 2011},

  month        = {Sat Oct 15 00:00:00 EDT 2011}

}

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