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) > The thermodynamic stability of three near-degenerate phases of platinum dioxide

Please use this identifier to cite or link to this item: http://hdl.handle.net/1860/1822

Title: The thermodynamic stability of three near-degenerate phases of platinum dioxide
Authors: Zhuo, Shuping
Sohlberg, Karl
Issue Date: 2005
Publisher: Material Research Society
Citation: 2004 Fall Proceedings, 848, p. FF7.8.1 - FF7.8.6.
Abstract: The thermodynamic stability of the three nearly energy degenerate crystal structures of PtO2 is studied here with first-principles-based calculations of their free energies. For P = 0 the α-(CdI2) structure is the thermodynamically stable phase at low temperature, while the β-(CaCl2) structure is stable at high pressure. The β'- (rutile) structure represents an unstable fixed point on the potential energy surface, or is possibly just barely bound. These results reconcile seemingly contradictory findings and answer longstanding questions about PtO2.
URI: http://hdl.handle.net/1860/1822
Appears in Collections:Faculty Research and Publications (Chemistry)

Files in This Item:

File Description SizeFormat
2006175157.pdf134.8 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