Article ID Journal Published Year Pages File Type
5377170 Chemical Physics 2006 8 Pages PDF
Abstract
On the basis of calculations, the physisorption of NO2, N2O4, and NO3 are estimated to be 5 ± 2, 12 ± 3, and 9 ± 3 kcal/mol, respectively. The chemisorption energy of two NO2 molecules on (9,0) and (10,0) tubes is computed to be 16 and 8 kcal/mol, respectively, while the chemisorption of two NO3 molecules is much more exothermic. The implication of these binding energies on the sensor mechanism of carbon nanotubes is discussed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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