Ab initio/Rice-Ramsperger-Kassel-Marcus approach to carbon nitride formation : CH3NH2 decomposition

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Detail(s)

Original languageEnglish
Pages (from-to)101-105
Journal / PublicationChemical Physics Letters
Volume321
Issue number1-2
Publication statusPublished - 21 Apr 2000

Abstract

An approach of combination of ab initio calculation with Rice-Ramsperger-Kassel-Marcus theory has been applied to the study of carbon nitride formation. The energetic characteristics and decomposition of one important intermediate CH3NH2 used in chemical vapor deposition (CVD) of carbon nitride thin film have been studied over a wide range of pressure and temperature. The calculated rate constants for three possible decomposition channels of the CH3NH2 depends strongly on the reaction temperature and pressure. The high rate constants for the CH3NH2 decomposition at high temperature might be responsible for the HCN or CNH formation in CVD of carbon nitride thin film.

Citation Format(s)

Ab initio/Rice-Ramsperger-Kassel-Marcus approach to carbon nitride formation : CH3NH2 decomposition. / Zhang, R. Q.; Han, K. L.; Zhu, R. S.; Lee, C. S.; Lee, S. T.

In: Chemical Physics Letters, Vol. 321, No. 1-2, 21.04.2000, p. 101-105.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review