The thermostabilising effect of La doping on gamma-Al2O3 - A molecular dynamics simulation study

被引：12

作者：

Alvarez, LJ

Jacobs, JP

Sanz, JF

Odriozola, JA

机构：

[1] UNIV SEVILLE,FAC QUIM,DEPT QUIM FIS,E-41012 SEVILLE,SPAIN

[2] UNIV SEVILLE,DEPT QUIM INORGAN,E-41012 SEVILLE,SPAIN

[3] UNIV SEVILLE,INST CIENCIA MAT,E-41012 SEVILLE,SPAIN

来源：

SOLID STATE IONICS | 1997年 / 95卷 / 1-2期

关键词：

gamma-Al2O3; thermostabilisation; molecular dynamics;

D O I：

10.1016/S0167-2738(96)00581-4

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：

Molecular dynamics simulations of the surface of gamma-Al2O3 have been carried out at 1000 K with three different La coverages in order to study the thermostabilising effect of rare earth cations. The system consisted originally of a gamma-Al2O3 sample constituted of 1440 particles from which 10, 15 and 20 aluminium cations of high coordination were replaced by lanthanum cations. The thermostabilising effect is described in terms of the hindering of migration of tetrahedral aluminium cations by the presence of highly coordinated lanthanum cations.

引用

页码：73 / 79

页数：7

共 11 条

[1] STUDY BY NEUTRON-DIFFRACTION OF HIGH-TEMPERATURE STRUCTURES OF LA2O3 AND ND2O3 [J].