Motif-Based Exploration of Halide Classes of Li5M10.5M20.5X8 Conductors Using the DFT Method: Toward High Li-Ion Conductivity and Improved Stability
Zengzhu Li,
Huafeng Dong,
Bingkai Zhang
Abstract:The development of all-solid-state lithium-ion batteries
(ASSLIBs)
is highly dependent on solid-state electrolyte (SSEs) performance.
However, current SSEs cannot satisfactorily meet the requirements
for high interfacial stability and Li-ion conductivity, especially
under high-voltage cycling conditions. To overcome the intractable
problems, we theoretically develop the chemistry of structural units
to build a series of MX6-unit mixed framework Li5M10.5M20.5X8 (total 184 halides)
for use as SSEs and recommend … Show more
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