Atomistic Oxidation Mechanism of a Carbon Nanotube in Nitric Acid
Motivated by recent experiments, we investigate how NO3-SWNT interactions become energetically favorable with varying oxidation state of a single-walled carbon nanotube (SWNT) using first-principles calculations. Chemisorption becomes less endothermic with respect to physisorption when the SWNT oxid...
| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society,
2010-07-14T18:52:01Z.
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| Subjects: | |
| Online Access: | Get fulltext |