Jump to main content
Jump to site search

Issue 30, 2020
Previous Article Next Article

Bayesian-optimization-guided experimental search of NASICON-type solid electrolytes for all-solid-state Li-ion batteries

Author affiliations

Abstract

Divalent- or trivalent-metal-oxide-doped NASICON-type LiZr2(PO4)3 (LZP) is an attractive oxide-based solid electrolyte for all-solid-state Li-ion batteries owing to its high Li-ion conductivity and stable charge–discharge cycling. Using an extensive experimental approach, the composition of CaO- and Y2O3-co-doped Li-rich NASICON-type LZP of the composition Li1+x+2yZr2−xyYxCay(PO4)3 (0 ≦ x ≦ 0.376, 0≦ y ≦ 0.376) was optimized. A number of 49 compositions were synthesized and their crystal structures, relative density of the sintered material, and Li-ion conductivity characterized. The co-doped compositions had a higher Li-ion conductivity than those doped with CaO or Y2O3 alone. Furthermore, diffraction studies revealed that two phases and an impurity phase existed depending on the composition. Adding CaO significantly changed the relative density of the sintered material. Thus, to identify compositional dependencies among the Li-ion conductivity, phase stability, and relative density was complicated, and intuitively searching for the best composition was difficult. As a proof-of-concept, the collected data were used to demonstrate that the Bayesian optimization (BO) significantly improved the experimental search for the best oxide-based electrolyte composition. Multi-objective BO (MOBO), which considers more than two target performances, was also carried out. It was validated that the BO-guided experimental search determined more rapidly the best composition compared to conventional trial-and-error approaches employed in the materials industry.

Graphical abstract: Bayesian-optimization-guided experimental search of NASICON-type solid electrolytes for all-solid-state Li-ion batteries

Back to tab navigation

Supplementary files

Article information


Submitted
27 Apr 2020
Accepted
29 Jun 2020
First published
23 Jul 2020

This article is Open Access

J. Mater. Chem. A, 2020,8, 15103-15109
Article type
Paper

Bayesian-optimization-guided experimental search of NASICON-type solid electrolytes for all-solid-state Li-ion batteries

M. Harada, H. Takeda, S. Suzuki, K. Nakano, N. Tanibata, M. Nakayama, M. Karasuyama and I. Takeuchi, J. Mater. Chem. A, 2020, 8, 15103
DOI: 10.1039/D0TA04441E

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
  • For reproduction of material from PCCP:
    [Original citation] - Published by the PCCP Owner Societies.
  • For reproduction of material from PPS:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
  • For reproduction of material from all other RSC journals:
    [Original citation] - Published by The Royal Society of Chemistry.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.


Social activity

Search articles by author

Spotlight

Advertisements