LATTICE-PARAMETER CHANGES IN THE MIXED-OXIDE SYSTEM CE1-XLAXO2-X/2 - A COMBINED EXPERIMENTAL AND THEORETICAL-STUDY

被引:59
作者
MORRIS, BC
FLAVELL, WR
MACKRODT, WC
MORRIS, MA
机构
[1] UMIST,DEPT CHEM,POB 88,MANCHESTER M60 1QD,ENGLAND
[2] ICI CHEM & POLYMERS LTD,RUNCORN WA7 4QD,CHESHIRE,ENGLAND
[3] ICI KATALCO R&T GRP,BILLINGHAM TS23 1LB,CLEVELAND,ENGLAND
关键词
CERIUM OXIDE; LANTHANUM DOPING; X-RAY DIFFRACTION; LATTICE PARAMETER; ATOMISTIC LATTICE CALCULATION;
D O I
10.1039/jm9930301007
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
X-Ray diffraction measurements are reported of ceramic samples of the mixed-oxide system Ce1-xLaxO2-x/2 for 0<x<0.9, where x has been determined by EDXA. The solid-state reaction forms a highly crystalline product at an ageing temperature of 1200-degrees-C. The solubility limit of La in the bulk CeO2 at this temperature has been determined as ca. 52% by monitoring the lattice parameter increase and the subsequent appearance of a second La2O3 phase. To model the experimental measurements, atomistic lattice calculations based on electron-gas shell-model potentials have been carried out to estimate the variation of the lattice parameter with La content.
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页码:1007 / 1013
页数:7
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