EXAFS Studies on Mixed-Phase Zirconia
J. Phys. Chem. B, Vol. 107, No. 27, 2003 6513
π
∆R
effect may exist in other mixed-phase materials, which should
be taken into consideration as well.
kcancel
)
(5)
2
References and Notes
In phase R and phase â, for the corresponding shell, if the kcancel
-1
(1) Rush, G. E.; Chadwick, A. V. J. Phys. Chem. B 2000, 104, 9597.
is between 3 and 12 Å , where AR(kcancel) and Aâ(kcancel) is often
(2) Qi, Z. M.; Shi, C. S.; Wei, Y. G.; Wang, Z, Liu, T.; Hu, T. D.;
3
big enough (k -weighted), under this condition, the cancellation
Zhao, Z. Y.; Li, F. L. J. Phys: Condens. Matter 2001, 13 (50), 11503.
(3) Qi, Z. M.; Shi, C. S.; Wei, Y. G.; Wang, Z.; Liu, T.; Xie, Y. N.;
Hu, T. D. J. Chin. UniV. Sci. Technol. 2001, 31 (3), 369 (in Chinese).
effect should be considered.
For most oxides MXOY, the coordination distances of the first
M-O shells have nearly same value in different phases, so it
is rarely to see the cancellation of the M-O shell, whereas for
the M-M shell, they often have larger differences. So for M-M
shells, they are more easily able to cancel each other in RDFs.
From Figure 2, the uncorrected RZr-Zr for MZ is 3.03 Å, and
that for TZ is 3.25 Å. So, ∆RZr-Zr ) 0.22 Å and
(4) Zheng, X. H.; Meng, Z. Y.; Wang, F. H.; Hu, T. D.; Liu, T.; Wang,
Y. R. Chin. J. Mater. Res. 1999, 13 (2), 171 (in Chinese).
(5) Jimenezsolis, C.; Esquivias, L.; Prieto, C. J. Alloys Compd. 1995,
2
28 (2), 188.
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5-8), 679.
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Methods Phys. Res., Sect. B 1995, 97, 127.
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1-8), 397.
(9) Deng, H.; Qiu, H.; Shi, G. Physica B 1995, 209 (1-4), 591.
(10) Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M. Acta Cryst.
B 1999, 55, 726.
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Smith M. E.; Strange J. H.; Tucker M. G. Chem. Mater. 2001, 13 (4), 1219.
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J. Phys: Condens. Matter 1994, 6, 633.
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A.; Paloschi, F.; Parent, P. J. Non-Cryst. Solids 1994, 177, 179.
(
(
(
(
π
-1
kcancel(Zr-Zr) )
) 7.1 Å
2
∆RZr-Zr
(
-
1
kcancel(Zr-Zr) falls between 3 and 12 Å , which means the
cancellation of the Zr-Zr peak in MZ and TZ is big enough.
(
(
5
Conclusion
(
14) Li, P.; Chen, I.-W.; Hahn, J. E. P. Phys. ReV. B 1993, 48, 10063.
(15) Dong, C. J. Appl. Crystallogr. 1999, 32, 838.
When doing EXAFS study about ZrO2-contained system, if
(16) Stern, E. A.; Newvill, M.; Ravel, B.; Yacoby, Y. Physica B 1995,
208, 117.
17) Kunquan, L.; Jun, W. Phys. ReV. B 1987, 35, 4497.
18) Kriventsov, V. V.; Kochubey, D. I.; Maximov, Yu. V.; Suzdalev,
the much decreased Zr-Zr peak in RDF was found, besides
smaller coordination number and the bigger Debye-Waller
factor, it may also be caused by the cancellation effect of ø(k)
from the monoclinic and tetragonal ZrO2. This cancellation
(
(
I. P.; Tsodikov, M. V.; Navio, J. A.; Hidalgo, M. C.; Colon, G. Nucl.
Instrum. Methods A 2001, 470, 341.