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|Title:||Surface functionalities of nitric acid treated carbon – A density functional theory based vibrational analysis|
Density functional theory
|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.|
|Appears in Collections:||IJC-A Vol.48A(03) [March 2009]|
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