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

R. Q. Zhang; K. L. Han; R. S. Zhu; C. S. Lee; S. T. Lee

doi:10.1016/S0009-2614(00)00322-5

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

R. Q. Zhang
, K. L. Han
, R. S. Zhu
, C. S. Lee
, S. T. Lee

Centre of Super-Diamond and Advanced Films

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

9 Citations (Scopus)

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.

© 2000 Elsevier Science B.V.

Original language	English
Pages (from-to)	101-105
Journal	Chemical Physics Letters
Volume	321
Issue number	1-2
DOIs	https://doi.org/10.1016/S0009-2614(00)00322-5
Publication status	Published - 21 Apr 2000

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@article{6d77490fc3c34502bde901e65f9cdcd3,

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

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. {\textcopyright} 2000 Elsevier Science B.V.",

author = "Zhang, \{R. Q.\} and Han, \{K. L.\} and Zhu, \{R. S.\} and Lee, \{C. S.\} and Lee, \{S. T.\}",

year = "2000",

month = apr,

day = "21",

doi = "10.1016/S0009-2614(00)00322-5",

language = "English",

volume = "321",

pages = "101--105",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "1-2",

}

TY - JOUR

T1 - Ab initio/Rice-Ramsperger-Kassel-Marcus approach to carbon nitride formation

T2 - CH3NH2 decomposition

AU - Zhang, R. Q.

AU - Han, K. L.

AU - Zhu, R. S.

AU - Lee, C. S.

AU - Lee, S. T.

PY - 2000/4/21

Y1 - 2000/4/21

N2 - 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. © 2000 Elsevier Science B.V.

AB - 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. © 2000 Elsevier Science B.V.

UR - https://www.scopus.com/pages/publications/0002980006

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-0002980006&origin=recordpage

U2 - 10.1016/S0009-2614(00)00322-5

DO - 10.1016/S0009-2614(00)00322-5

M3 - RGC 21 - Publication in refereed journal

SN - 0009-2614

VL - 321

SP - 101

EP - 105

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

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

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