Abstract
Volume expansion and elastic softening of the Sn anode on lithiation result in mechanical degradation and pulverization of Sn, affecting the overall performance of Li-Sn batteries. It can, however, be overcome with the help of void space engineering by using a LixSn phase as the prelithiated anode, where an optimal value for x is desired. Currently, Li4.25Sn is known as the most lithiated Li-Sn compound, but recent studies have shown that at high pressure, several exotic and unusual stoichiometries can be obtained that may even survive decompression from high-to-ambient pressure with improved mechanical properties. With a belief that hydrostatic pressure may help in realizing Li-richer (x > 4.25) Li-Sn compounds as well, we performed extensive calculations using an evolutionary algorithm and density functional theory to explore all stable and low-energy metastable Li-Sn compositions at pressures ranging from 1 atm to 20 GPa. This not only helped us in enriching the chemistry of a Li-Sn system, in general, but also in improving our understanding of the reaction mechanism in Li-Sn batteries, in particular, and guiding a route to improve the performance of Li-ion batteries through synthesis of Li-rich phases. Besides the experimen...Continue Reading
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Jun 28, 2020·Scientific Reports·Sai Gourang PatnaikDavid Pech
Mar 13, 2019·ACS Applied Materials & Interfaces·Raja Sen, Priya Johari
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