Panchmatia, Pooja M. and Orera, Alodia and Rees, Gregory J. and Smith, Mark E. and Hanna, John V. and Slater, Peter R. and Islam, M. Saiful (2011) Oxygen defects and novel transport mechanisms in apatite ionic conductors:combined 17O NMR and modeling studies. Angewandte Chemie International Edition, 50 (40). pp. 9328-9333. ISSN 1433-7851
Full text not available from this repository.Abstract
Germanium-based apatite compounds are fast oxide-ion conductors for potential use in fuel cells. A combination of solid-state 17O NMR spectroscopy, atomistic modeling, and DFT techniques help to elucidate oxygen defect sites and novel cooperative mechanisms of ion conduction. The picture shows oxygen diffusion in the studied apatite compound from molecular dynamics simulations.