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Identifying the Structural Basis for the Increased Stability of the Solid Electrolyte Interphase Formed on Silicon with the Additive Fluoroethylene Carbonate

Autor: Jin, Yanting, Kneusels, Nis-Julian H., Magusin, Pieter C. M. M., Kim, Gunwoo, Castillo-Martinez, Elizabeth, Marbella, Lauren E., Kerber, Rachel N., Howe, Duncan J., Paul, Subhradip, Liu, Tao, Grey, Clare P.

To elucidate the role of fluoroethylene carbonate (FEC) as an additive in the standard carbonate-based electrolyte for Li-ion batteries, the solid electrolyte interphase (SEI) formed during electrochemical cycling on silicon anodes was analyzed with

Externí odkaz: http://arxiv.org/abs/1805.03226

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Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics

Autor: Deringer, Volker L., Bernstein, Noam, Bartók, Albert P., Cliffe, Matthew J., Kerber, Rachel N., Marbella, Lauren E., Grey, Clare P., Elliott, Stephen R., Csányi, Gábor

Amorphous silicon (a-Si) is a widely studied non-crystalline material, and yet the subtle details of its atomistic structure are still unclear. Here, we show that accurate structural models of a-Si can be obtained by harnessing the power of machine-l

Externí odkaz: http://arxiv.org/abs/1803.02802

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