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Zwei Veröffentlichungen in Angew. Chem. und J. Phys. Chem. C über einen Borid-Wirt für Lithium-Ionen-Leiter.


Es gibt zwei neue Artikel, die in Angew. Chem. und J. Phys. Chem. C. Der Forschungsschwerpunkt liegt auf der schnellen Lithium-Ionen-Migration auf einer Borid-Wirtsstruktur und ihrem Migrationsmechanismus.

Lithium-ion Mobility in Li6B18(Li3N) and Li Vacancy Tuning in the Solid Solution Li6B18(Li3N)1-x(Li2O)x 

T. M. F. Restle, L. Scherf, J. V. Dums, A. G. Mutschke, R. J. Spranger, H. Kirchhain, A. J. Karttunen, L. van Wüllen, T. F. Fässler

Angew. Chem. Int. Ed. 62 (2023) e202213962
DOI: 10.1002/anie.202213962

High lithium mobility. A new concept for compounds with high lithium ion mobility based on a rigid open-framework boron structure is reported. The host–guest structure Li6B18(Li3N) comprises large hexagonal pores filled with Li7N] strands. The formation of the solid solution of Li6B18(Li3N) and Li6B18(Li2O) over the complete compositional range allows the tuning of lithium defects in the template structure that is not possible for pristine Li3N and Li2O

Mechanism of Li-Ion Migration in the Superionic Conducting Open-Framework Structure Li6B18(Li3N)1-x(Li2O)x (0 ≤ x ≤ 1)

R. J. Spranger, H. Kirchhain, T. M. F. Restle, J. V. Dums, A. J., Karttunen, L. van Wüllen, T. F. Fässler

Phys. Chem. C 127 (2023) 1622−1632
DOI: 10.1021/acs.jpcc.2c06839 

Li ion diffusion in the solid solution Li6B18(Li3N)1-x(Li2O)x with x = 0, 0.25, 0.5, 0.75 and 1 has been investigated. A range of solid state NMR approaches including 7Li T1 relaxation NMR, temperature-dependent 6Li-MAS-NMR and 6Li-{7Li}-CP-MAS 2D exchange NMR and a detailed 7Li line shape analysis is teamed up with quantum-chemical calculations of Li migration pathways to unravel the mechanism of Li diffusion in the open framework structures Li6B18(Li3N)1-xLi2O)x. Rather low activation energy are established.