First-principles study on thermodynamic stability of the hybrid interfacial structure of LiMn2O4 cathode and carbonate electrolyte in Li-ion batteries
作者： Daehyeon Choi , Joonhee Kang , Jinwoo Park , Byungchan Han
DOI: 10.1039/C7CP08037A
关键词:
摘要: … ab initio molecular dynamics (AIMD) simulations with the Hubbard … Our results based on both DFT calculations and AIMD … stable and high capacity LIBs with optimized electrodes and …
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