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Solid State NMR for the study of structure/property correlations in glassy and glass ceramic materials for energy storage applications

Grant number: 17/17800-0
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Effective date (Start): May 01, 2018
Effective date (End): April 30, 2022
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Principal Investigator:Hellmut Eckert
Grantee:Igor d'Anciães Almeida Silva
Host Institution: Instituto de Física de São Carlos (IFSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil
Associated research grant:13/07793-6 - CEPIV - Center for Teaching, Research and Innovation in Glass, AP.CEPID
Associated scholarship(s):21/10081-4 - Modern solid-state NMR techniques for the study of ion dynamics in glasses and glass-ceramics for energy storage application, BE.EP.PD


The main goal of this project is the study of the relationship between the structure and dynamics of fast sodium ion conductors for applications as solid electrolytes and electrode materials tuning application-relevant physical properties of such systems in a controlled manner, for improved energy storage capacity and reversibility.The present proposal focuses on characterizing the structural and dynamical features of superionic glass-ceramic electrolyte systems with lithium and sodium ions having extremely high ionic mobilities. These systems, which crystallize in the hexagonal Na-Super Ion Conductor (NASICON) structure, are derived from the superionic phase MTi 2 (PO 4 ) 3 (M = Li, Na). For the structural analysis of glasses and ceramics and for characterizing echanistic details of ionic movement in such systems, modern high-resolution Nuclear Magnetic Resonance (NMR) spectroscopic methods will be used. Multinuclear single- and double resonance NMR work will be done to investigate in detail the local environments of both the framework nuclei ( 31 P, 29 Si, 27 Al, 119 Sn) and the mobile ions ( 6/7 Li, 23 Na) in the glassy state, and their evolution during the ceramization process. In addition, the local ion dynamics of the lithium and sodium ions will be characterized by temperature dependent NMR lineshape and multidimensional correlation functions and related to the structural features of these materials. In this manner, the effect of iso- and aliovalent cation substitution in the framework structure as well as of alkaline ion mixing on the cation sites will be characterized and correlated with the results of electrical conductivity measurements.

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
GAMMOND, LAWRENCE V. D.; AUER, HENRY; DA SILVA, RITA MENDES; ZEIDLER, ANITA; ORTIZ-MOSQUERA, JAIRO F.; NIETO-MUNOZ, ADRIANA M.; RODRIGUES, ANA CANDIDA M.; ALMEIDA SILVA, IGOR D'ANCIAES; ECKERT, HELLMUT; BENMORE, CHRIS J.; et al. Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2-x(PO4)(3). Journal of Chemical Physics, v. 155, n. 7, . (17/17800-0, 13/07793-6)
ALMEIDA SILVA, IGOR D'ANCIAES; RODRIGUES, ANA CANDIDA M.; ECKERT, HELLMUT. Solid-state NMR investigation of fast sodium ion-conducting glass-ceramics: The system Na3+3x-yRE1-xPySi3-yO9 (RE = Sc, Y). Journal of the American Ceramic Society, v. 105, n. 12, p. 20-pg., . (17/17800-0, 13/07793-6)
KINDLE, MICHAEL; KMIEC, STEVEN; SILVA, IGOR D'ANCIAES ALMEIDA; ECKERT, HELLMUT; MARTIN, STEVE W.; SONG, MIN-KYU; MCCLOY, JOHN S.. Structural properties of alumina-doped lithium borovanadate glasses and glass-ceramics. Journal of Non-Crystalline Solids, v. 521, . (13/07793-6, 17/17800-0)

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