Experimental XRD and NMR, and molecular dynamics study of Sr containing LaAlO3 perovskite

被引：14

作者：

Lima, Enrique ^{[1
]}

Villafuerte-Castrejon, Maria-Elena ^{[2
]}

Saniger, Jose M. ^{[3
]}

Ibarra-Palos, Alejandro ^{[2
]}

Sanchez-Sanchez, Jorge E. ^{[4
]}

Alvarez, Luis Javier ^{[4
,5
]}

机构：

[1] Univ Autonoma Metropolitana Azcapotzalco, Dept Quim, Mexico City 09340, DF, Mexico

[2] Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico

[3] Univ Nacl Autonoma Mexico, CCADET, Mexico City 04510, DF, Mexico

[4] Univ Nacl Autonoma Mexico, Unidad Cuernavaca, Inst Mat, Cuernavaca 62220, Morelos, Mexico

[5] Univ Seville, Fac Quim, Dept Quim Fis, E-41012 Seville, Spain

来源：

SOLID STATE IONICS | 2008年 / 178卷 / 39-40期

关键词：

aluminum; perovskites; strontium; lanthanum; molecular dynamics simulations;

D O I：

10.1016/j.ssi.2008.01.036

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：

Strontium containing LaAlO3 perovskites, (La,Sr)AlO3, were prepared by co-precipitation method. 20% of lanthanum was replaced by strontium into LaAlO3, Structural characterization of materials through XRD and NMR techniques suggests that Sr introduction causes that unsaturated aluminum, Al-IV and Al-V appear in decrement of the amount of Al-VI. This result was confirmed by molecular dynamics simulations and a mechanism of the formation of the unsaturated aluminum is given. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：1944 / 1949

页数：6

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