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UNIVERSITY OF BUCHAREST
FACULTY OF PHYSICS Guest
2024-11-23 13:40 |
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Conference: Bucharest University Faculty of Physics 2008 Meeting
Section: Solid State Physics and Materials Science
Title:
An atomistic simulation for the physisorption of silicon in zeolites
Authors:
Ana IOANID, Brandusa MIRONOV
Affiliation:
University of Bucharest, Faculty of Physics, P.O.BOX MG-11, Magurele, Bucharest, Romania
E-mail
ana_ioanid@yahoo.com
Keywords:
nanostructures, physisorption, zeolites
Abstract:
In the process of manufacturing semiconductor nanostructures-clusters, nanowires, nanotubes-the basic idea is the deposition of an element from a vapour or a liquid phase inside the porosity of a zeolite, as crystalline materials that have a narrow pore size distribution. After matrix removal, a collection of nanostructures of the deposited element can be obtained.
We have simulated the deposition by physisorption of silicon vapour in the pores of ALPO4-5 zeolite. The PN-TrAZ potential function has been used for the interaction energy of a neutral silicon atom with Al, P, O atoms participating to zeolite framework, and Terrsof potential function for Silicon-silicon atoms interactions.
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