Abstract
The lithiation process of carbon coated silicon nanoparticles is simulated using molecular dynamics simulation in order to unveil the kinetics mechanism. The simulation shows that lithium ions are activated by charged carbon coating under coulombic and Van der Waals force. The lithiation reaction is determined by the activation degree of Li ions which varies on the carbon density, not by the diffusion amount of Li ions. It can interpret well the abnormal phenomenon that bigger diffusion flux of lithium ions does not bring about faster lithiation reaction rate and reveals the shortcoming of Butler-Volmer model describing the charge-transfer/ions-diffusion-controlled electrochemical kinetics.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
