TY - JOUR
T1 - Designing lithium halide solid electrolytes
AU - Wang, Qidi
AU - Zhou, Yunan
AU - Wang, Xuelong
AU - Guo, Hao
AU - Gong, Shuiping
AU - Yao, Zhenpeng
AU - Ganapathy, Swapna
AU - Zhao, Chenglong
AU - Wagemaker, Marnix
AU - More Authors, null
PY - 2024
Y1 - 2024
N2 - All-solid-state lithium batteries have attracted widespread attention for next-generation energy storage, potentially providing enhanced safety and cycling stability. The performance of such batteries relies on solid electrolyte materials; hence many structures/phases are being investigated with increasing compositional complexity. Among the various solid electrolytes, lithium halides show promising ionic conductivity and cathode compatibility, however, there are no effective guidelines when moving toward complex compositions that go beyond ab-initio modeling. Here, we show that ionic potential, the ratio of charge number and ion radius, can effectively capture the key interactions within halide materials, making it possible to guide the design of the representative crystal structures. This is demonstrated by the preparation of a family of complex layered halides that combine an enhanced conductivity with a favorable isometric morphology, induced by the high configurational entropy. This work provides insights into the characteristics of complex halide phases and presents a methodology for designing solid materials.
AB - All-solid-state lithium batteries have attracted widespread attention for next-generation energy storage, potentially providing enhanced safety and cycling stability. The performance of such batteries relies on solid electrolyte materials; hence many structures/phases are being investigated with increasing compositional complexity. Among the various solid electrolytes, lithium halides show promising ionic conductivity and cathode compatibility, however, there are no effective guidelines when moving toward complex compositions that go beyond ab-initio modeling. Here, we show that ionic potential, the ratio of charge number and ion radius, can effectively capture the key interactions within halide materials, making it possible to guide the design of the representative crystal structures. This is demonstrated by the preparation of a family of complex layered halides that combine an enhanced conductivity with a favorable isometric morphology, induced by the high configurational entropy. This work provides insights into the characteristics of complex halide phases and presents a methodology for designing solid materials.
UR - http://www.scopus.com/inward/record.url?scp=85187123181&partnerID=8YFLogxK
U2 - 10.1038/s41467-024-45258-3
DO - 10.1038/s41467-024-45258-3
M3 - Article
C2 - 38316799
AN - SCOPUS:85187123181
SN - 2041-1723
VL - 15
JO - Nature Communications
JF - Nature Communications
IS - 1
M1 - 1050
ER -