First-Principles Characterization of the Unknown Crystal Structure and Ionic Conductivity of Li7P2S8I as a Solid Electrolyte for High-Voltage Li Ion Batteries
作者： Joonhee Kang , Byungchan Han
DOI: 10.1021/ACS.JPCLETT.6B01050
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摘要: … In summary, we developed a conceptual approach based on first-principles computing to identify the unknown crystal structure and transport behaviors in solid electrolytes in high-…
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