Dataset of "Tailored Silicon Nanostructures in Conductive-based Hydrogel Binders: Impact of Size, Structure, and Surface Chemistry on Li-Ion Battery Performance"

This study investigated the performance of Si-based anode materials for Li-ion batteries. These materials were prepared via the in situ polymerization of a conductive polypyrrole (PPy) hydrogel using an environmentally friendly, waterborne approach. Phytic acid (PhA), a naturally occurring molecule, was employed as a crosslinking agent for the PPy chains, while polyacrylic acid (PAA) served as a stabilizing agent for the Si nanoparticles. The PPy hydrogel functioned as a high-performance conductive binder, conformally coating the Si nanoparticles. The study examined the effects of size, surface chemistry and solid-state properties (amorphous versus crystalline) of both commercial and lab-synthesized Si nanoparticles including Si quantum dots (SiQD) on the structural, morphological, and electrochemical performance of the Si-based anode materials. These insights enabled the optimization of Si-based anodes for enhanced electrochemical performance. A clear correlation was established between Si nanoparticle size, solid-state properties, and the resulting electrochemical performance of the developed anodes. The optimized Si-based anodes exhibited a well-balanced combination of specific capacity and rate capability.