Ab Initio-Based Structural and Thermodynamic Aspects of the Electrochemical Lithiation of Silicon Nanoparticles
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DOI: 10.3390/catal10010008
Abstract: We reported the theoretical understandings of the detailed structural and thermodynamic mechanism of the actual lithiation process of silicon nanoparticle systems based on atomistic simulation approaches. We found that the rearrangement of the Si bonding… read more here.
Keywords: lithiation; silicon nanoparticles; electrochemical lithiation; silicon ... See more keywords