University of California

Zhuoying Zhu

Ying Shirley Meng

Shyue Ping Ong

Han Nguyen

Iek Heng Chu

Erik Wu

Presented are new, earth-abundant lithium superionic conductors, LiY(PS)and LiPSCl, that emerged from a comprehensive screening of the Li&#x2014;P&#x2014;S and Li-M-P&#x2014;S chemical spaces. Both candidates are derived from the relatively unexplored quaternary silver thiophosphates. One key enabler of this discovery is the development of a first-of-its-kind high-throughput first principles screening approach that can exclude candidates unlikely to satisfy the stringent Liconductivity requirements using a minimum of computational resources. Both candidates are predicted to be synthesizable, and are electronically insulating. Systems and methods according to present principles enable new, all-solid-state rechargeable lithium-ion batteries.

Lithium and sodium superionic conductors

Presented are new, earth-abundant lithium superionic conductors, LiY(PS)and L1PSCl, that emerged from a comprehensive screening of the Li&#x2014;P&#x2014;S and Li&#x2014;M&#x2014;P&#x2014;S chemical spaces. Both candidates are derived from the relatively unexplored quaternary silver thiophosphates. One key enabler of this discovery is the development of a first-of-its-kind high-throughput first principles screening approach that can exclude candidates unlikely to satisfy the stringent Li+ conductivity requirements using a minimum of computational resources. Both candidates are predicted to be synthesizable, and are electronically insulating. Systems and methods according to present principles enable new, all-solid-state rechargeable lithium-ion batteries.

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La Jolla, CA, United States of America

Zhuoying Zhu