Atomistic Oxidation Mechanism of a Carbon Nanotube in Nitric Acid

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 oxi...

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Bibliographic Details
Main Authors: Kanai, Yosuke, Khalap, Vaikunth R., Collins, Philip G., Grossman, Jeffrey C.
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2010
Online Access:http://hdl.handle.net/1721.1/56306
https://orcid.org/0000-0003-1281-2359

Internet

http://hdl.handle.net/1721.1/56306
https://orcid.org/0000-0003-1281-2359

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