Data-Driven First-Principles Methods for the Study and Design of Alkali Superionic Conductors
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DOI: 10.1021/acs.chemmater.6b02648
Abstract: We present a detailed exposition of how first-principles methods can be used to guide alkali superionic conductor (ASIC) study and design. Using the argyrodite Li6PS5Cl as a case study, we demonstrate how modern information technology… read more here.
Keywords: superionic conductors; study design; principles methods; alkali superionic ... See more keywords