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SUMMARY
Received: 7 June 2022 Sasawat Jamnuch1 and amp; Tod A. Pascal Check for updates Lithium graphite intercalation compounds (Li-GICs) are essential materials for modern day portable electronics and obtaining insights into their atomic structure and thermodynamics is of fundamental interest. The authors explore the electronic and atomic states of Li-GICs at varying degrees of Lithium loading (i.e., "staging") by means of ab-initio molecular dynamics simulations and simulated X-ray adsorption spectroscopy (XAS). The authors analyze the atomic correlation functions and shows that the enhancements of the Li-ion entropy with . . .
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