Modeling interfaces between solids: Application to Li battery materials
نویسندگان
چکیده
منابع مشابه
Modeling interfaces between solids: Application to Li battery materials
We present a general scheme to model an energy for analyzing interfaces between crystalline solids, quantitatively including the effects of varying configurations and lattice strain. This scheme is successfully applied to the modeling of likely interface geometries of several solid state battery materials including Li metal, Li3PO4, Li3PS4, Li2O, and Li2S. Our formalism, together with a partial...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2015
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.92.214201