Reaction and transport interplay in Al MOCVD investigated through experiments and computational fluid dynamic analysis

Xenidou, TC; Prud'Homme, N; Vahlas, C; Markatos, NC; Boudouvis, AG

dc.contributor.author	Xenidou, TC	en
dc.contributor.author	Prud'Homme, N	en
dc.contributor.author	Vahlas, C	en
dc.contributor.author	Markatos, NC	en
dc.contributor.author	Boudouvis, AG	en
dc.date.accessioned	2014-03-01T01:34:24Z
dc.date.available	2014-03-01T01:34:24Z
dc.date.issued	2010	en
dc.identifier.issn	0013-4651	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/20727
dc.subject.classification	Electrochemistry	en
dc.subject.classification	Materials Science, Coatings & Films	en
dc.subject.other	Aluminum film	en
dc.subject.other	Computational fluid dynamics models	en
dc.subject.other	Dimethylethylamine alane	en
dc.subject.other	Fluid flow	en
dc.subject.other	Gas-phase reactions	en
dc.subject.other	Gasphase	en
dc.subject.other	Growth mechanisms	en
dc.subject.other	MOCVD	en
dc.subject.other	Model prediction	en
dc.subject.other	Operating parameters	en
dc.subject.other	Predictive capabilities	en
dc.subject.other	Rate measurements	en
dc.subject.other	Reaction orders	en
dc.subject.other	Reactive transport models	en
dc.subject.other	Showerhead	en
dc.subject.other	Simplified models	en
dc.subject.other	Simulation result	en
dc.subject.other	Spatial uniformity	en
dc.subject.other	Three dimensional geometry	en
dc.subject.other	Activation energy	en
dc.subject.other	Aluminum	en
dc.subject.other	Aluminum coatings	en
dc.subject.other	Computational chemistry	en
dc.subject.other	Computational fluid dynamics	en
dc.subject.other	Computer software	en
dc.subject.other	Dynamic analysis	en
dc.subject.other	Flow of fluids	en
dc.subject.other	Fluid dynamics	en
dc.subject.other	Fluids	en
dc.subject.other	Metallic films	en
dc.subject.other	Metallorganic chemical vapor deposition	en
dc.subject.other	Organometallics	en
dc.subject.other	Phase interfaces	en
dc.subject.other	Surface reactions	en
dc.subject.other	Three dimensional	en
dc.subject.other	Transport properties	en
dc.title	Reaction and transport interplay in Al MOCVD investigated through experiments and computational fluid dynamic analysis	en
heal.type	journalArticle	en
heal.identifier.primary	10.1149/1.3493617	en
heal.identifier.secondary	http://dx.doi.org/10.1149/1.3493617	en
heal.language	English	en
heal.publicationDate	2010	en
heal.abstract	An improved reactive transport model of a metallorganic chemical vapor deposition process for the growth of aluminum films from dimethylethylamine alane is developed. The computational fluid dynamics model is built under PHOENICS software for the simulation of the coupled fluid flow, heat transfer, and chemistry. The growth mechanism of aluminum films is based on well-established, in the literature, reaction order and activation energy of gas-phase and surface reactions. The improvement of the model against a simplified model is established. The interplay of reaction and transport is elucidated. In particular, the important effects of the gas-phase reaction and of the showerhead system are revealed; accounting for gas-phase along with surface reactions for the flow details in the showerhead and for the three-dimensional geometry induced by the distribution of the holes in the showerhead yields substantial enhancement of the predictive capability of the model. The satisfactory agreement between model predictions and growth-rate measurements allows one to understand and improve the process. The model is further used to investigate the effect of key operating parameters on the characteristics of the aluminum films. Simulation results are suggestive of modifications in the operating parameters that could enhance the growth rate and its spatial uniformity. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3493617] All rights reserved.	en
heal.publisher	ELECTROCHEMICAL SOC INC	en
heal.journalName	Journal of the Electrochemical Society	en
dc.identifier.doi	10.1149/1.3493617	en
dc.identifier.isi	ISI:000283938300057	en
dc.identifier.volume	157	en
dc.identifier.issue	12	en
dc.identifier.spage	D633	en
dc.identifier.epage	D641	en