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Title: Lithium and sodium superionic conductors

Abstract

Presented are new, earth-abundant lithium superionic conductors, Li3Y(PS4)2 and L15PS4Cl2, that emerged from a comprehensive screening of the Li—P—S and Li—M—P—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.

Inventors:
; ; ; ; ;
Issue Date:
Research Org.:
Univ. of California, Oakland, CA (United States)
Sponsoring Org.:
USDOE; National Science Foundation (NSF)
OSTI Identifier:
1860173
Patent Number(s):
11201349
Application Number:
16/346,144
Assignee:
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (Oakland, CA)
Patent Classifications (CPCs):
G - PHYSICS G16 - INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS G16C - COMPUTATIONAL CHEMISTRY
G - PHYSICS G16 - INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS G16Z - INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS, NOT OTHERWISE PROVIDED FOR
DOE Contract Number:  
CMMI1436976; SC0012118
Resource Type:
Patent
Resource Relation:
Patent File Date: 10/31/2017
Country of Publication:
United States
Language:
English

Citation Formats

Zhu, Zhuoying, Ong, Shyue Ping, Wu, Erik, Nguyen, Han V., Meng, Ying Shirley, and Chu, Iek Heng. Lithium and sodium superionic conductors. United States: N. p., 2021. Web.
Zhu, Zhuoying, Ong, Shyue Ping, Wu, Erik, Nguyen, Han V., Meng, Ying Shirley, & Chu, Iek Heng. Lithium and sodium superionic conductors. United States.
Zhu, Zhuoying, Ong, Shyue Ping, Wu, Erik, Nguyen, Han V., Meng, Ying Shirley, and Chu, Iek Heng. Tue . "Lithium and sodium superionic conductors". United States. https://www.osti.gov/servlets/purl/1860173.
@article{osti_1860173,
title = {Lithium and sodium superionic conductors},
author = {Zhu, Zhuoying and Ong, Shyue Ping and Wu, Erik and Nguyen, Han V. and Meng, Ying Shirley and Chu, Iek Heng},
abstractNote = {Presented are new, earth-abundant lithium superionic conductors, Li3Y(PS4)2 and L15PS4Cl2, that emerged from a comprehensive screening of the Li—P—S and Li—M—P—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.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2021},
month = {12}
}

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