The combined neutron scattering and first-principles study of solid state protonic conductors

Authors
Yildirim, T Reisner, B Udovic, TJ Neumann, DA
Citation
T. Yildirim et al., The combined neutron scattering and first-principles study of solid state protonic conductors, SOL ST ION, 145(1-4), 2001, pp. 429-435
Citations number
19
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SOLID STATE IONICS
ISSN journal
01672738 → ACNP
Volume
145
Issue
1-4
Year of publication
2001
Pages
429 - 435
Database
ISI
SICI code
0167-2738(200112)145:1-4<429:TCNSAF>2.0.ZU;2-9
Abstract
The need for more efficient batteries and fuel cells to be used for vehicle propulsion, photovoltaic energy storage, and self-contained power sources has led to increased effort in the development of improved materials with h igh proton conductivity. In this paper, we outline the utility of neutron s cattering methods in conjunction with first-principles total-energy calcula tions for characterizing the structure and proton dynamics in such material s, namely, SrCe1 - xScxO3 -deltaHgamma, Ba2In2O5 + deltaH2 delta and RbHSO4 . (C) 2001 Elsevier Science B.V. All rights reserved.