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Surface functionalities of nitric acid treated carbon – A density functional theory based vibrational analysis

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Title Surface functionalities of nitric acid treated carbon – A density functional theory based vibrational analysis
 
Creator Mahalakshmy, R
Indraneel, P
Viswanathan, B
 
Subject Theoretical chemistry
Density functional theory
Vibrational spectroscopy
Surface chemistry
Carbon
Functional groups
 
Description 352-356
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.
 
Date 2009-03-17T04:02:14Z
2009-03-17T04:02:14Z
2009-03
 
Type Article
 
Identifier 0376-4710
http://hdl.handle.net/123456789/3371
 
Language en_US
 
Publisher CSIR
 
Source IJCA Vol.48A(3) [March 2009]