Simulated amorphisation and recrystallisation: nanocrystallites within meso-scale supported oxides

被引：16

作者：

Sayle, DC ^{[1
]}

Watson, GW

机构：

[1] Cranfield Univ, Royal Mil Coll Sci, Dept Environm & Ordnance Syst, Swindon SN6 8LA, Wilts, England

[2] Univ Dublin Trinity Coll, Dept Chem, Dublin 2, Ireland

来源：

JOURNAL OF MATERIALS CHEMISTRY | 2000年 / 10卷 / 10期

关键词：

D O I：

10.1039/b004756m

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：

We present the first simulation of an ultra-thin supported oxide, which encompasses, within a single simulation cell, all major structural features observed in a real system, including misoriented nanocrystallites, grain boundaries, dislocations and defects.

引用

页码：2241 / 2243

页数：3

共 9 条

[1]

[Anonymous], 1996, DLPOLY PACKAGE MOL S

[2]

Catlow CRA, 1997, NATO ADV SCI I E-APP, V331, P479

[3] Interface matching in oxides of rocksalt/rocksalt(001) and rocksalt/perovskite(001) [J].