Drexel University Home Pagewww.drexel.edu DREXEL UNIVERSITY LIBRARIES HOMEPAGE >>

iDEA: Drexel E-repository and Archives > Drexel Academic Community > College of Arts and Sciences > Department of Chemistry > Faculty Research and Publications (Chemistry) > Atomic scale mechanism of the transformation of γ-alumina to θ-alumina

Please use this identifier to cite or link to this item: http://hdl.handle.net/1860/1802

Title: Atomic scale mechanism of the transformation of γ-alumina to θ-alumina
Authors: Cai, Shu-Hui
Rashkeev, Sergey N.
Pantelides, Sokrates T.
Sohlberg, Karl
Issue Date: Dec-2002
Publisher: American Physical Society
Citation: Physical Review Letters, 89: pp. 235501-1 - 235501-4.
Abstract: y-alumina is known to transform to θ-alumina and finally to a-alumina upon thermal treatment with a catastrophic loss of porosity and catalytic activity. First-principles calculations were performed to investigate the atomic scale mechanism of the y- to θ-alumina transformation. The transformation pathways between the two different forms have been mapped out and identified as a sequence of Al cation migrations. Different possible Al migration paths may be responsible for the experimentally observed formation of domains and twins in θ-alumina. The estimated temperature dependence of the conversion rate is in excellent agreement with the experimental transformation temperature.
URI: http://hdl.handle.net/1860/1802
Appears in Collections:Faculty Research and Publications (Chemistry)

Files in This Item:

File Description SizeFormat
2006175165.pdf553.12 kBAdobe PDFView/Open
View Statistics

Items in iDEA are protected by copyright, with all rights reserved, unless otherwise indicated.


Valid XHTML 1.0! iDEA Software Copyright © 2002-2010  Duraspace - Feedback