Ayub, Ibrar; Berry, Frank J.; Johnson, Clive; Johnson, David A.; Moore, Elaine A.; Ren, Xiaolin and Widatallah, Hisham M.
|DOI (Digital Object Identifier) Link:||http://dx.doi.org/10.1016/S0038-1098(02)00213-2|
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Tin- and titanium-doped α-Cr2O3 have been prepared by the calcination of precipitates. Rietveld structure refinement of the X-ray powder diffraction patterns shows that the dopant metals occupy interstitial sites and partially substitute on octahedral chromium sites in the corundum-related α-Cr2O3 structure. Interatomic potential calculations show that such defects are energetically more favourable than the exclusive substitution of chromium or the occupation by the dopant of interstitial sites in α-Cr2O3 with charge balance being achieved by an appropriate number of cation vacancies. However, the attempted incorporation of magnesium within α-Cr2O3 results in the formation of spinel-related MgCr2O4. The observation is rationalised in terms of the greater thermodynamic stability of the spinel-related structure.
|Item Type:||Journal Article|
|Extra Information:||Some of the symbols may not have transferred correctly into this bibliographic record.|
|Keywords:||alpha-Cr2O3; structure of doped alpha-Cr2O3|
|Academic Unit/Department:||Science > Life, Health and Chemical Sciences|
|Interdisciplinary Research Centre:||Centre for Earth, Planetary, Space and Astronomical Research (CEPSAR)
Biomedical Research Network (BRN)
|Depositing User:||Users 1688 not found.|
|Date Deposited:||17 Jul 2006|
|Last Modified:||07 Mar 2014 13:41|
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