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Decoding Oxygen K-edge Fingerprints of NCM-811 Degradation via Ab Initio Many-Body Theory and High-Throughput Screening of Crystal Proxies
The degradation of LiNi$_{0.8}$Co$_{0.1}$Mn$_{0.1}$O$_2$ (NCM-811) in Li-ion batteries produces complex transition-metal oxides and binary phases that fundamentally limit cathode performance. While identifying these degradation products via X-ray absorption spectroscopy (XAS) is essential for mitiga
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