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Proceedings Paper

Atomic, electronic, and transport properties of quasi-one-dimensional nanostructures
Author(s): Yongqiang Xue; Abraham Hmiel; Christopher Stiles
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Paper Abstract

We present theoretical study of the atomic, electronic and transport properties of silicon nanowires and single-walled carbon nanotubes using atomistic simulation. For silicon nanowires, we present investigation of the atomic structure and electronic properties of ultrathin nanowires with different surface structures and growth directions and the trend of such property variations with increasing nanowire diameters using density functional theory with both local atomic basis and plane waves. For single-walled carbon nanotubes, we present self-consistent tight-binding study of the electronic and transport properties of semiconducting carbon nanotubes in contact with metal electrodes. We discuss insights obtained from such atomistic study on the contact, and diameter dependence of junction conductance. Finally, we examine the application of single-walled carbon nanotubes as novel nanofluidic channels by analyzing the structure and kinetics of water molecules confined and transported through the nanotube channels using molecular dynamics simulation.

Paper Details

Date Published: 4 September 2008
PDF: 9 pages
Proc. SPIE 7037, Carbon Nanotubes and Associated Devices, 70370X (4 September 2008); doi: 10.1117/12.795354
Show Author Affiliations
Yongqiang Xue, SUNY, Univ. at Albany (United States)
Abraham Hmiel, SUNY, Univ. at Albany (United States)
Christopher Stiles, SUNY, Univ. at Albany (United States)

Published in SPIE Proceedings Vol. 7037:
Carbon Nanotubes and Associated Devices
Manijeh Razeghi; Didier Pribat; Young Hee Lee, Editor(s)

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