Quantum-chemical modeling of lithium removal from lithium–silicon–silicon carbide composite
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DOI: 10.1134/s0036023617090212
Abstract: The quantum-chemical modeling of the delithiation-induced reorganization of a LimSin layer applied to the surface of nitrogen-doped silicon carbide is performed by means of non-empirical molecular dynamics in the frame of the gradient-corrected density functional… read more here.
Keywords: silicon carbide; quantum chemical; chemical modeling; removal lithium ... See more keywords