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Title: Semiconductor nanowires and nanotubes: Effects of size and surface-to-volume ratio
Authors: Pan, H. 
Feng, Y.P. 
Keywords: First-principles calculations
Semiconductor nanotube
Semiconductor nanowire
Size effect
Surface-to-volume ratio
Issue Date: Nov-2008
Citation: Pan, H., Feng, Y.P. (2008-11). Semiconductor nanowires and nanotubes: Effects of size and surface-to-volume ratio. ACS Nano 2 (11) : 2410-2414. ScholarBank@NUS Repository.
Abstract: The electronic properties of semiconductor (SiC, GaN, BN, ZnO, ZnS, and CdS) nanowires and nanotubes were investigated using first-principles calculations based on density functional theory and generalized gradient approximation. Different size or surface-to-volume ratio dependences were found for the II-II (ZnO, ZnS, and CdS) and IV-IV (SiC) and III-V (GaN anal BN) nanostructures. For SiC, GaN, and BN nanostructures, the band gap decreases with the increase of the surface-to-volume ratio or the reduction of the diameter, while for ZnO, ZnS, and CdS nanostructures, the band gap increases with the increase of surface-to-volume ratio or the reduction of the diameter. The mechanism is attributed to the competition between the interaction from dangling p-like and σ states and the quantum confinement effect. © 2008 American Chemical Society.
Source Title: ACS Nano
ISSN: 19360851
DOI: 10.1021/nn8004872
Appears in Collections:Staff Publications

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