First‐Principles Studies on Transition Metal Doped Mo2B2 as Anode Material for Li‐Ion Batteries
Jianjian Shi,
Chaojie Yu,
Wei Kang
et al.
Abstract:New two‐dimensional (2D) transition‐metal borides have attracted considerable interest in research on electrode materials for Li‐ion batteries (LIBs) owing to their promising properties. In this study, 2D molybdenum boride (Mo2B2) with and without transition metal (TM, TM=Mn, Fe, Co, Ni, Ru, and Pt) atom doping was investigated. Our results indicated that all TM‐doped Mo2B2 samples exhibited excellent electronic conductivity, similar to the intrinsic 2D Mo2B2 metal behavior, which is highly beneficial for appl… Show more
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