Atomic-scale mechanistic features of oxide ion conduction in apatite-type germanates

被引：77

作者：

Kendrick, Emma ^{[1
]}

Islam, M. Saiful ^{[2
]}

Slater, Peter R. ^{[1
]}

机构：

[1] Univ Surrey, Guildford GU2 7XH, Surrey, England

[2] Univ Bath, Sch Chem, Bath BA2 7AY, Avon, England

来源：

CHEMICAL COMMUNICATIONS | 2008年 / 06期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1039/b716814d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Atomistic modelling studies of the apatite-type oxide ion conductor La-9.33(GeO4)(6)O-2 show that a key role of the O4 channel oxygen atoms appears to be as a reservoir for the creation of interstitial oxide ion defects, while the migration of these defects proceeds via the GeO4 tetrahedra.

引用

收藏

页码：715 / 717

页数：3

相关论文

共 25 条

[1] Synthesis and characterisation of lanthanum germanate-based apatite phases [J].

Abram, EJ ;

Kirk, CA ;

Sinclair, DC ;

West, AR .

SOLID STATE IONICS, 2005, 176 (23-24) :1941-1947

[2] Oxide ion conductivity in Sr-doped La10Ge6O27 apatite oxide [J].

Arikawa, H ;

Nishiguchi, H ;

Ishihara, T ;

Takita, Y .

SOLID STATE IONICS, 2000, 136 :31-37

[3] A structural investigation of La2(GeO4)O and alkaline-Earth-doped La9.33(GeO4)6O2 [J].

Berastegui, P ;

Hull, S ;

García, FJG ;

Grins, J .

JOURNAL OF SOLID STATE CHEMISTRY, 2002, 168 (01) :294-305

[4]

Catlow C.R.A., 1997, Computer Modelling in Inorganic Crystallography

[5] Synthesis of La9.33Si6O26 pore-solid nanoarchiltectures via epoxide-driven sol-gel chemistry [J].

Célérier, S ;

Laberty-Robert, C ;

Long, JW ;

Pettigrew, KA ;

Stroud, RM ;

Rolison, DR ;

Ansart, F ;

Stevens, P .

ADVANCED MATERIALS, 2006, 18 (05) :615-+

[6] The General Utility Lattice Program (GULP) [J].

Gale, JD ;

Rohl, AL .

MOLECULAR SIMULATION, 2003, 29 (05) :291-341

[7] An apatite for fast oxide ion conduction [J].

Islam, MS ;

Tolchard, JR ;

Slater, PR .

CHEMICAL COMMUNICATIONS, 2003, (13) :1486-1487

[8] Neutron diffraction and atomistic simulation studies of Mg doped apatite-type oxide ion conductors [J].

Kendrick, E. ;

Sansom, J. E. H. ;

Tolchard, J. R. ;

Islam, M. S. ;

Slater, P. R. .

FARADAY DISCUSSIONS, 2007, 134 :181-194

[9] Cooperative mechanisms of fast-ion conduction in gallium-based oxides with tetrahedral moieties [J].

Kendrick, Emma ;

Kendrick, John ;

Knight, Kevin S. ;

Islam, M. Saiful ;

Slater, Peter R. .

NATURE MATERIALS, 2007, 6 (11) :871-875

[10] Developing apatites for solid oxide fuel cells: insight into structural, transport and doping properties [J].

Kendrick, Emma ;

Islam, M. Saiful ;

Slater, Peter R. .

JOURNAL OF MATERIALS CHEMISTRY, 2007, 17 (30) :3104-3111