Abstract: A process for producing a silicon:silicon oxide:lithium composite (SSLC) material useful as a negative electrode active material for non-aqueous battery cells includes: producing a partially lithiated SSLC material by way of mechanical mixing; subsequently producing a further prelithiated SSLC material by way of spontaneous lithiation procedure; and subsequently producing a delithiated SSLC material by way of reacting lithium silicide within the dispersed prelithiated SSLC material with organic solvent(s) to extract lithium from the prelithiated SSLC material, until reactivity of lithium silicide within the prelithiated SSLC material with the organic solvent(s) ceases. The delithiated SSLC material is a porous plastically deformable matrix having nano silicon embedded therein. The delithiated SSLC material can have a lithium silicide content of less than 0.5% by weight.

Abstract: Methods and computer programs to quantify defects in an experimentally synthesized material for use in a battery are provided. A method includes an operation for obtaining spectra of the experimentally synthesized material. Further, defected structures of a crystalline structure are created via simulation, and spectra of the defected structures are obtained via simulation. In another method operation, the spectra of the experimentally synthesized material is compared to the spectra of the defected structures obtained via simulation, and if the spectra of the experimentally synthesized material is substantially equal to the spectra of the defected structures obtained via simulation then the defects in the experimentally synthesized material are quantified according to the defects in the defected structures.