Decoding Oxygen K-edge Fingerprints of NCM-811 Degradation via Ab Initio Many-Body Theory and High-Throughput Screening of Crystal Proxies

Daniel Duarte-Ruiz, Timo Reents, Elmar Kataev +4

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 p…