Electrolyte Coatings for High Adhesion Interfaces in Solid-state Batteries from First Principles

We introduce an adhesion parameter that enables rapid screening for materials interfaces with high adhesion. This parameter is obtained by density functional theory calculations of individual single-material slabs rather than slabs consisting of combinations of two materials, eliminating the need to...

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Veröffentlicht in:	arXiv.org 2023-03
Hauptverfasser:	Ransom, Brandi, Ramdas, Akash, Lomeli, Eder, Fidawi, Jad, Sendek, Austin, Devereaux, Thomas, Reed, Evan, Schindler, Peter
Format:	Artikel
Sprache:	eng
Schlagworte:	Adhesion Commercialization Configurations Contact angle Density functional theory Electrolytes First principles Lithium Mathematical analysis Optimization Parameters Protective coatings Solid state Stability Upper bounds
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