Ab Initio Modeling of Diamond Nanowire Structures

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Abstract

Presented are results of our ab initio study of the structural relaxation of diamond nanowires, with dodecahedral and cubododecahedral morphology, showing that the energetic and structural stability of a diamond nanowire is dependent on both the surface morphology and the crystallographic direction of the principal axis. Although all structures under consideration exhibited significant changes in the length and cross-sectional area, nanowires with the principal axis in the [110] direction appear less structurally favorable.

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This article has been cited by 5 ACS Journal articles (5 most recent appear below).

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    Although knowledge about carbon hybrid films comprising both sp2 and sp3 bonding structures is of great importance for innovation applications of diamond-based nanostructures, little is known about the mixed hybridization forms in the same two-dimensional ...

    Abstract | Full Text HTML | Hi-Res PDF | PDF w/ Links
• 

  Synthesis of Diamond Nanowires Using Atmospheric-Pressure Chemical Vapor Deposition

  Chih-Hsun Hsu, Sylvain G. Cloutier, Steven Palefsky and Jimmy Xu
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    Nano Letters2010 10 (9), 3272-3276

    We report diamond nanowires grown in an atmospheric pressure chemical vapor deposition process. These diamond nanowires are straight, thin and long, and uniform in diameter (60−90 nm) over tens of micrometers. Spectroscopic analysis, electron diffraction, ...

    Abstract | Full Text HTML | Hi-Res PDF | PDF w/ Links
• 

  Self-Assembled Growth, Microstructure, and Field-Emission High-Performance of Ultrathin Diamond Nanorods

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    Abstract | Full Text HTML | Hi-Res PDF | PDF w/ Links
• 

  From Fulleranes and Icosahedral Diamondoids to Polyicosahedral Nanowires: Structural, Electronic, and Mechanical Characteristics

  Jukka T. Tanskanen, Mikko Linnolahti, Antti J. Karttunen and Tapani A. Pakkanen
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    Abstract | Full Text HTML | Hi-Res PDF | PDF w/ Links
• 

  Controlled Evolution of Carbon Nanotubes Coated by Nanodiamond:  the Realization of a New Class of Hybrid Nanomaterials

  M. L. Terranova, S. Orlanducci, A. Fiori, E. Tamburri, and V. Sessa, M. Rossi, A. S. Barnard
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  • Controlled Evolution of Carbon Nanotubes Coated by Nanodiamond:  the Realization of a New Class of Hybrid Nanomaterials

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    We report a new class of nanostructured carbon materials, which couple nanosized diamond with single-walled carbon nanotubes. This exciting material is being produced in our laboratories in a modified CVD reactor by means of reactions between carbon ...

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