Silicon is considered as a promising anode material for Li-ion batteries because of its record
capacity (about 4000 mAh g− 1), more than ten times higher than that of graphite, which is …

Atomistic modeling of fracture is intended to illuminate the complex response of atoms in the
very high stressed region just ahead of a sharp crack. Accurate modeling of the atomic scale …

Lithium (Li) metal electrodes are not deployable in rechargeable batteries because
electrochemical plating and strip** invariably leads to growth of dendrites that reduce …

Sulfur is a very promising cathode material for rechargeable energy storage devices.
However, sulfur cathodes undergo a noticeable volume variation upon cycling, which …

The time-independent and time-dependent mechanical behavior of electrochemically
lithiated silicon was studied with nanoindentation. As indentation was performed with …

Solid state diffusion in a binary system, such as lithiation into crystalline silicon, often
involves two symbiotic processes, namely, interfacial chemical reaction and bulk diffusion …

In the search for high-energy density materials for Li-ion batteries, silicon has emerged as a
promising candidate for anodes due to its ability to absorb a large number of Li atoms …

This work investigates the ability of the deep-learning potential (DP) to describe structural,
dynamic and energetic properties of crystalline and amorphous Li–Si alloys. Li–Si systems …

Silicon is a high-capacity anode material for lithium-ion batteries. Electrochemical cycling of
Si electrodes usually produces amorphous Li x Si (a-Li x Si) alloys at room temperature …

Here, we report on the scalable synthesis and characterization of novel architecture three-
dimensional (3D) high-capacity amorphous silicon nanowires (SiNWs)-based anodes with …