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For a successful integration of silicon in high-capacity anodes of Li-ion batteries, its intrinsic capacity decay on cycling due to severe volume swelling should be minimized. In this work, Ni-Sn intermetallics are studied as buffering matrix during reversible lithiation of Si-based anodes. Si/Ni-Sn composites have been synthetized by mechanical milling using C and Al as process control agents. Ni3Sn4, Ni3Sn2 intermetallics and their bi-phasic mixture were used as constituents of the buffering matrix. The structure, composition and morphology of the composites have been analyzed by X-ray diffraction (XRD), 119Sn Transmission Mossbauer Spectroscopy (TMS) and scanning electron microscopy (SEM). They consist of ~ 150 nm Si nanoparticles embedded in a multi-phase matrix, the nanostructuration of which improves on increasing the Ni3Sn4 amount. The electrochemical properties of the composites were analyzed by galvanostatic cycling in half-cells. Best results for practical applications are found for the bi-phasic matrix Ni3Sn4-Ni3Sn2 in which Ni3Sn4 is electrochemically active while Ni3Sn2 is inactive. Low capacity loss, 0.04 %/cycle, and high coulombic efficiency, 99.6%, were obtained over 200 cycles while maintaining a high reversible capacity above 500 mAh/g at moderate regime C/5
Varying the amounts of silicon and carbon, different composites have been prepared by ball milling of Si, Ni$_{3.4}$Sn$_4$, Al and C. Silicon and carbon contents are varied from 10 to 30 wt.% Si, and 0 to 20 wt.% C. The microstructural and electroche
Using first principles structure searching with density-functional theory (DFT) we identify a novel $Fmbar{3}m$ phase of Cu$_2$P and two low-lying metastable structures, an $Ibar{4}3d$--Cu$_3$P phase, and a $Cm$--Cu$_3$P$_{11}$ phase. The computed pa
Solid-state batteries (SSBs) can offer a paradigm shift in battery safety and energy density. Yet, the promise hinges on the ability to integrate high-performance electrodes with state-of-the-art solid electrolytes. For example, lithium (Li) metal, t
Recent advances in tools for crystal structure analysis enabled us to describe a new phenomenon in structural chemistry, which, to this day, has remained hidden. Here we describe a crystal structure with an incommensurate compositional modulation, Mn
A 3D mechanical stable scaffold is shown to accommodate the volume change of a high specific capacity nickel-tin nanocomposite Li-ion battery anode. When the nickel-tin anode is formed on an electrochemically inactive conductive scaffold with an engi