Year: 2021
Type: preprint
Abstract: We propose a microscopic, first-principles description of the ionic conduction in crystals. This formalism allows us to gain new insights into the ideal characteristics of general ionic conducting materials and, in particular, solid electrolytes. Using \textit{ab initio} calculations, we show that our formalism results in ionic mobilities consistent with experiments for several materials. Our work opens the possibility of developing solid electrolytes based on fundamental physical principles rather than empirical descriptions of the underlying processes.
Source: arXiv (Cornell University)
Institutions: National University of Singapore, Yale-NUS College
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: green
Award: G639450473
OpenAlex ID: W3208019707