Kinetic model development and CFD
simulation of a silicon oxynitride (SiOxNy)
CVD process from TDMSA/O2 mixtures

Tsiros, Tryfon

dc.contributor.author	Tsiros, Tryfon	en
dc.date.accessioned	2021-01-14T07:38:57Z
dc.date.available	2021-01-14T07:38:57Z
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/52773
dc.identifier.uri	http://dx.doi.org/10.26240/heal.ntua.20471
dc.rights	Default License
dc.subject	CVD	en
dc.subject	Silicon oxynitrides	en
dc.subject	Kinetic Model	en
dc.subject	Simulation	en
dc.subject	Computational fluid dynamics	en
dc.title	Kinetic model development and CFD simulation of a silicon oxynitride (SiOxNy) CVD process from TDMSA/O2 mixtures	en
dc.contributor.department	Ανάλυσης, Σχεδιασμού και Ανάπτυξης Διεργασιών και Συστημάτων	el
heal.type	bachelorThesis
heal.classification	Computational Fluid Dynamics	el
heal.language	el
heal.language	en
heal.access	free
heal.recordProvider	ntua	el
heal.publicationDate	2020-09-25
heal.abstract	Silicon oxynitrides thin films have a very wide application in optical devices, dielectric materials, and optical waveguide materials. Additionally, 𝑆�𝑖�𝑂�𝑥�𝑁�𝑦� films also have high chemical stability, high resistance to impurity diffusion, and water vapor permeability, properties that are highly required for applications in barrier devices such as gas barriers, making this material a promising candidate. The present thesis focuses on the formation of thin 𝑆�𝑖�𝑂�𝑥�𝑁�𝑦� films through a relatively moderate temperature thermal CVD process (T=650°C) at atmospheric pressure. The chemistry selected to undertake this task is a mixture of tris-dimethylsilyl-amine (TDMSA) and O2, a novel chemistry where nitrogen and silicon atoms originate from the precursor itself and nitrogen not being supplied by an external gas source like ammonia. For this research, a tubular horizontal hot-wall reactor configuration has been utilized to produce the silicon oxynitride material and the development of the respective chemical model. Ellipsometry and FTIR are the main instruments used for the solid phase analysis and characterization of the films, with Ellipsometry supplying a large amount of data relating to the deposition rate and composition, aiding the simulations substantially. The development of the model is additionally also based on gas phase results from GC-MS, liquid NMR and ESR analyses. The combined use of solid-state and gas phase results were thus used as the main feedback for the present work, in order to develop an apparent kinetic model, that could replicate the deposition mechanism from the TDMSA+O2 chemical system in a simplified manner. Lastly, the kinetic model constructed for this system is implemented in the simulation software ANSYS® FLUENT® 18.2 and aims to recreate the experiments with satisfactory accuracy through the use of computational fluid dynamics, opening the way to further possibilities for process optimization.	en
heal.advisorName	Boudouvis, Andreas G.	en
heal.committeeMemberName	Τσόπελας, Φώτιος	el
heal.committeeMemberName	Vahlas, Constantin	en
heal.academicPublisher	Εθνικό Μετσόβιο Πολυτεχνείο. Σχολή Χημικών Μηχανικών. Τομέας Ανάλυσης, Σχεδιασμού και Ανάπτυξης Διεργασιών και Συστημάτων (ΙΙ)	el
heal.academicPublisherID	ntua
heal.numberOfPages	69 p.	en
heal.fullTextAvailability	false