Adsorption of Pyridine by Using BeO Nanotube: A DFT Study
Abstract:<br /> Electrical sensitivity of a beryllium oxide nanotube (BeONT) was examined toward (C<sub>5</sub>H<sub>5</sub>N) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31(d) level, and it was found that the adsorption energy (E<su...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Science and Technologies Association
2014-04-01
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| Series: | International Journal of New Chemistry |
| Subjects: | |
| Online Access: | http://www.ijnc.ir/article_9710_4483f0da7805e3da2e75b2083d5aac8e.pdf |