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题名: Ab initio/Rice-Ramsperger-Kassel-Marcus approach to carbon nitride formation: CH3NH2 decomposition
作者: Zhang, RQ;  Han, KL;  Zhu, RS;  Lee, CS;  Lee, ST
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2000-04-21
卷: 321, 期:1-2, 页:101-105
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: 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. (C) 2000 Elsevier Science B.V. All rights reserved.
关键词[WOS]: SOLIDS ;  DIAMOND ;  STABILITY ;  C3N4
语种: 英语
WOS记录号: WOS:000086634300017
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138673
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.City Univ Hong Kong, Ctr Super Diamond & Adv Films, Hong Kong, Hong Kong, Peoples R China
2.City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Zhang, RQ,Han, KL,Zhu, RS,et al. Ab initio/Rice-Ramsperger-Kassel-Marcus approach to carbon nitride formation: CH3NH2 decomposition[J]. CHEMICAL PHYSICS LETTERS,2000,321(1-2):101-105.
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