Chemo-mechanics theory for amorphous Silicon electrodes

Abstract eng:
In this work, we formulated, numerically implemented, and calibrated a fully-coupled diffusion-deformation model for amor- phous Silicon (a—Si) anodes. Importantly, the model, and accompanying computational implementation, are capable of reproducing both the mechanical and electrochemical experimentally measured response of these anodes. We applied our calibrated simulation capability to modeling cycling of hollow a-Si nanotubes, and showed that our simulations results, without parameter adjustment, are in good agreement with the experimentally-measured voltage vs. state-of-charge (SOC) at various charging rates. Further, using our theory and simulations, we identified and quantified two major effects of plasticity on the electrochemical performance of a-Si anodes:

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