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Occurrence Modes of Critical Metals (Li+ and Ge4+) in the Organic Molecular Structures of Coal: A Density Functional Theory Study

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Published in 2023 at "ACS Omega"

DOI: 10.1021/acsomega.3c01801

Abstract: To explore the mechanism of critical metal (Li+ and Ge4+) occurrence in the organic molecular structures of different rank coals, simulations were investigated using quantum chemical density functional theory. In this paper, Wender lignite, bituminous,… read more here.

Keywords: adsorption; molecular structures; critical metals; metals ge4 ... See more keywords