Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/3371
Title: Surface functionalities of nitric acid treated carbon – A density functional theory based vibrational analysis
Authors: Mahalakshmy, R
Indraneel, P
Viswanathan, B
Keywords: Theoretical chemistry
Density functional theory
Vibrational spectroscopy
Surface chemistry
Carbon
Functional groups
Issue Date: Mar-2009
Publisher: CSIR
Abstract: The appropriate combination of surface functionalities and their relative contribution to the total surface functionalities of oxidized carbon by nitric acid are evaluated by density functional theory calculations. Though the computed and experimental spec-tra do not exactly match in all respects, the methodology adopted has a definite role in understanding the complex surface function-alities of treated carbon.
Description: 352-356
URI: http://hdl.handle.net/123456789/3371
ISSN: 0376-4710
Appears in Collections:IJC-A Vol.48A(03) [March 2009]

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