NMR insights into the impact of Al incorporation on the structure and dynamics of β-Li3PS4

Hongtao Qu – @QuHongtao

I am based in @radboudscience @Radboud_Uni. Delighted to share our work @global_nmr. We investigated the Al ion doping mechanism in beta-LPS and its impact on Li ion dynamics. If you are interested in my work and have any questions, don't hesitate to DM me. #GlobalnmrTC2022 pic.twitter.com/RLcR2fVMgV

— Hongtao QU (@QuHongtao) August 3, 2022

We investigate the impact of Al incorporation on the structure and dynamics of Al-doped lithium thiophosphates (Li3-3xAlxPS4) based on β-Li3PS4. 27Al and 6Li MAS NMR spectra confirm that Al3+ ions occupy octahedral sites in the structure. Quantitative analyses of 27Al NMR that the maximum Al incorporation is x=0.06 in Li3-3xAlxPS4. NMR relaxometry shows that the activation barrier for long-range Li ion diffusion in β-Li3PS4 hardly changes upon Al incorporation, but the onset temperature for doping comes down significantly. The activation barrier in the subsequently formed multiphase material decreases significantly, however, indicating a different more efficient Li ion conduction pathways.