This review focuses on a combination of ab initio molecular dynamics (aiMD) and NMR
parameters calculations using quantum mechanical methods. The advantages of such an …

Various polycrystalline samples of Al-doped garnet-like Li7La3Zr2O12 crystallizing with
cubic symmetry were synthesized from the binary oxides Li2O, ZrO2, Al2O3, and La2O3 …

Solid state (ss-) 27Al NMR is one of the most valuable tools for the experimental
characterization of zeolites, owing to its high sensitivity and the detailed structural …

Li7La3Zr2O12 (LLZO) garnets are among the most promising solid electrolytes for next-
generation all-solid-state Li-ion battery applications due to their high stabilities and ionic …

Layered tetrahedral network melilite is a promising structural family of fast ion conductors
that exhibits the flexibility required to accommodate interstitial oxide anions, leading to …

Complex oxides with pronounced proton transfer occupy a special place in modern solid-
state ionics and high-temperature electrochemistry, being of great interest from both …

Thermal treatment induced phase transition of LaAlO 3 in glass and its influence on glass
structure and dielectric, magnetic, and Faraday rotation properties were characterized …

While solid-state NMR spectroscopic techniques have helped clarify the local structure and
dynamics of ionic conductors, similar studies of mixed ionic–electronic conductors (MIECs) …

We report a density functional theory study of LaScO 3 perovskite using the SCAN meta-
GGA potential. LaScO 3 is of interest for applications such as hydrogen gas sensors …

The phase transition of LaAlO 3 in heavy metal oxide lead-tellurite glass was obtained and
verified, along with its influence on glass structure, magnetic, and Faraday rotation …