Investigation of the interaction of carbon dioxide fluid with internal and external single-wall carbon nanotubes by DFT
The effective parameters of (5, 0) and (5, 5) single-wall carbon nanotubes during the interaction with carbon dioxide as sensors are determined. The interaction of carbon dioxide molecules with internal and external walls of the nanotubes is studied using Gaussian 03 coding by density functional th...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nanoscience and Nanotechnology Research Center, University of Kashan
2011-07-01
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| Series: | Journal of Nanostructures |
| Subjects: | |
| Online Access: | http://jns.kashanu.ac.ir/article_5311_1d27994f8cf2d466d4011aac66627263.pdf |