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Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science

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Ab initio study of the effect of water adsorption on the carbon nanotube field-effect transistor

Cited 29 times inthomson ciCited 27 times inthomson ci
Title
Ab initio study of the effect of water adsorption on the carbon nanotube field-effect transistor
Author
Sung, DongchulHong, SuklyunKim, Yong-HoonPark, NoejungKim, SanghyeobMaeng, Sung LyulKim, Ki-Chul
Keywords
GENERALIZED GRADIENT APPROXIMATION; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ELECTRONIC-PROPERTIES; MOLECULAR-DYNAMICS; SINGLE; GAS; TRANSPORT; METALS; WIRES
Issue Date
2006-12
Publisher
AMER INST PHYSICS
Citation
APPLIED PHYSICS LETTERS, v.89, no.24, pp. -
Abstract
We perform density-functional calculations to investigate the effect of adsorbed water molecules on carbon nanotubes (CNTs). Noting that the H2 O molecule has much wider energy gap than the CNT, we find that the charge transfer between them is negligible. We discuss that several recent publications, which claimed a substantial electron transfer from the water molecule to the CNT, have been based on incautious interpretations of the Mulliken population analysis. We suggest that the effect of humidity on nanotube devices may be attributed to various indirect effects enhanced by water vapors, rather than the carrier generations by the physisorbed H2 O molecules.
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DOI
10.1063/1.2397543
ISSN
0003-6951
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PHY_Journal Papers
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