From bond valence maps to energy landscapes for mobile ions in ion-conducting solids

Abstract Applications of the bond valence method for the analysis of ion transport pathways in crystalline cation ion conductors with various mobile cations are reviewed and an extension of the approach to anion conductors is discussed. In both cases the discussion highlights structures, where special care is required in the interpretation of the pathway model. The extension of the bond valence approach enhances the application range of the method for the identification of the ion transport mechanisms to materials, where both cations and anions have to be considered as potentially mobile species, as demonstrated for the presumed trivalent cation conductor Sc 2 (WO 4 ) 3 .

[1]  I. Brown,et al.  The Chemical Bond in Inorganic Chemistry: The Bond Valence Model , 2002 .

[2]  V. D. Frechette,et al.  Non-crystalline solids , 1960 .

[3]  S. Adams,et al.  Predictability of ion transport properties from the structure of solid electrolytes , 2004 .

[4]  S. Adams,et al.  Global instability index optimizations for the localization of mobile protons , 2004 .

[5]  S. Adams,et al.  Ag migration pathways in crystalline and glassy solid electrolytes AgI-AgMxOy , 1998 .

[6]  Venkataraman Thangadurai,et al.  Crystal Structure Revision and Identification of Li+-Ion Migration Pathways in the Garnet-like Li5La3M2O12 (M = Nb, Ta) Oxides , 2004 .

[7]  Y. Kobayashi,et al.  Trivalent Rare Earth Ion Conduction in the Rare Earth Tungstates with the Sc2(WO4)3-Type Structure , 1998 .

[8]  S. Adams Relationship between bond valence and bond softness of alkali halides and chalcogenides. , 2001, Acta crystallographica. Section B, Structural science.

[9]  S. Hull,et al.  Structural and superionic properties of Ag+-rich ternary phases within the AgI?MI2 systems , 2002 .

[10]  A. Privalov,et al.  Dynamic processes in the superionic conductor LaF3 at high temperatures as studied by spin-lattice relaxation dispersion , 2002 .

[11]  S. Adams,et al.  Structure conductivity correlation in reverse Monte Carlo models of single and mixed alkali glasses , 2004 .

[12]  S. Hull,et al.  Crystal structures and ionic conductivities of ternary derivatives of the silver and copper monohalides-II: ordered phases within the (AgX)x-(MX)1-x and (CuX)x-(MX)1-x (M = K, Rb and Cs; X = Cl, Br and I) systems , 2004 .

[13]  S. Adams,et al.  Defect chemistry and transport characteristics of β-AgI , 2000 .

[14]  P. Slater,et al.  A powder neutron diffraction study of the oxide-ion-conducting apatite-type phases, La9.33Si6O26 and La8Sr2Si6O26 , 2001 .

[15]  S. Adams,et al.  The nature of conduction pathways in mixed alkali phosphate glasses , 2004 .

[16]  S. Adams,et al.  Antifluorite-type lithium chromium oxide nitrides: synthesis, structure, order, and electrochemical properties. , 2004, Inorganic chemistry.

[17]  Yukio Morii,et al.  Crystal Structure and Diffusion Path in the Fast Lithium-Ion Conductor La0.62Li0.16TiO3 , 2005 .