| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5360385 | Applied Surface Science | 2013 | 8 Pages |
Abstract
⺠The adsorption energy of CO molecule on surfaces of Al- and Ga-doped (6, 0), (8, 0), and (5, 5) BNNTs are studied. ⺠Binding energy of CO on outer walls of Al- and Ga-doped (6, 0) and (8, 0) BNNT are energetically more notable in comparison with Al- and Ga-doped (5, 5) BNNT. ⺠Our computations indicate that the Al- and Ga-doped BNNT can be used as potential sensor for CO molecule. ⺠The energy gap of BNNT is decreased in all of the cases for CO adsorption.
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Authors
Ali Ahmadi Peyghan, Alireza Soltani, Amin Allah Pahlevani, Yaser Kanani, Soheila Khajeh,