Vacancy-induced chemisorption of NO2 on carbon nanotubes: A combined theoretical and experimental study
Article Abstract:
The role of structural defects on the adsorption of NO2 on carbon nanotubes (CNTs) is analyzed by means of both statical density and functional theory calculations and Car-Parrinello molecular dynamics and further confirmed by X-ray photoelectron spectroscopy measurements. The interaction of a NO2 molecule with an active site produced by a single vacancy on the sidewall follows two possible reaction routes, leading to the formation of a C-N bond or to dissociation of NO2.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Near-edge X-ray absorption fine structure investigations of order in carbon nanotube-based systems
Article Abstract:
A qualitative and quantitative study of the degree of order and alignment in a wide range of carbon nanotube-based systems, including single-walled carbon nanotube powder is carried out using near-edge X-ray absorption fine structure spectroscopy. The results are compared to analogous data obtained from a highly ordered pyrolytic graphite sample.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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