Mechanism of the Ammonia Molecules Protonation on the Naturally Oxidized Silicon Surface
The protonation of a single ammonia molecule in the presence of several (1-5) water molecules on the surface of the hydroxylated β-cristobalite surface was studied by means of density functional method with the potential B3LYP using 6-311 ++ g (d, p) basis set in the cluster approximation. The impor...
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| Format: | Article |
| Language: | English |
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Sumy State University
2015-10-01
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| Series: | Журнал нано- та електронної фізики |
| Subjects: | |
| Online Access: | http://jnep.sumdu.edu.ua/download/numbers/2015/3/articles/jnep_2015_V7_03027.pdf |
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