title: Lithium Diffusion Pathway in Li(1.3)Al(0.3)Ti(1.7)(PO4)3 (LATP) Superionic Conductor.
abstract: The Al-substituted LiTi2(PO4)3 powders Li(1+x)Al(x)Ti(2-x)(PO4)3 (LATP) were successfully prepared by a water-based sol-gel process with subsequent calcination and sintering. The crystal structure of obtained samples was characterized at different temperatures using high-resolution synchrotron-based X-ray and neutron powder diffraction. Possible lithium diffusion pathways were initially evaluated using the difference bond-valence approach. Experimental 3D lithium diffusion pathway in LATP was extracted from the negative nuclear density maps reconstructed by the maximum entropy method. Evaluation of the energy landscape determining the lithium diffusion process in NASICON-type superionic conductor is shown for the first time.
authors.affiliation: Karlsruher Institut für Technologie (KIT), Institut für Angewandte Materialien (IAM) , 76131 Karlsruhe, Germany.|Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität München , Lichtenbergstrasse 1, D-85748 Garching, Germany.
authors.forename: Mykhailo
authors.initials: M
authors.lastname: Monchak
authors.affiliation: Karlsruher Institut für Technologie (KIT), Institut für Angewandte Materialien (IAM) , 76131 Karlsruhe, Germany.
authors.forename: Thomas
authors.initials: T
authors.lastname: Hupfer
authors.affiliation: Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität München , Lichtenbergstrasse 1, D-85748 Garching, Germany.
authors.forename: Anatoliy
authors.initials: A
authors.lastname: Senyshyn
authors.affiliation: Department für Geo- und Umweltwissenschaften, Sektion Kristallographie, LMU München , Am Coulombwall 6, D-85748 Garching, Germany.
authors.forename: Hans
authors.initials: H
authors.lastname: Boysen
authors.affiliation: Swiss-Norwegian Beamlines, ESRF-The European Synchrotron, 71 Avenue des Martyrs, 38042 Grenoble Cedex 9, France.
authors.forename: Dmitry
authors.initials: D
authors.lastname: Chernyshov
authors.affiliation: Institut Max von Laue-Paul Langevin (ILL) , 71 Avenue des Martyrs, 38043 Grenoble Cedex 9, France.
authors.forename: Thomas
authors.initials: T
authors.lastname: Hansen
authors.affiliation: Karlsruher Institut für Technologie (KIT), Institut für Angewandte Materialien (IAM) , 76131 Karlsruhe, Germany.
authors.forename: Karl G
authors.initials: KG
authors.lastname: Schell
authors.affiliation: Karlsruher Institut für Technologie (KIT), Institut für Angewandte Materialien (IAM) , 76131 Karlsruhe, Germany.
authors.forename: Ethel C
authors.initials: EC
authors.lastname: Bucharsky
authors.affiliation: Karlsruher Institut für Technologie (KIT), Institut für Angewandte Materialien (IAM) , 76131 Karlsruhe, Germany.
authors.forename: Michael J
authors.initials: MJ
authors.lastname: Hoffmann
authors.affiliation: Karlsruher Institut für Technologie (KIT), Institut für Angewandte Materialien (IAM) , 76131 Karlsruhe, Germany.
authors.forename: Helmut
authors.initials: H
authors.lastname: Ehrenberg