Abstract:Two-dimensional (2D) materials have received considerable attention as possible electrodes in Li-ion batteries (LIBs), although a deeper understanding of the Li adsorption behavior as well as broad screening of the materials space is still needed. In this work, we build a high-throughput screening scheme that incorporates a learned interaction. First, density functional theory and graph convolution networks are utilized to calculate minimum Li adsorption energies for a small set of 2D metallic materials. The d… Show more
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