@phdthesis{oai:doshisha.repo.nii.ac.jp:00029586, author = {青木, 靖仁 and Aoki, Yasuhito}, month = {2023-04-24, 2023-04-24}, note = {リチウムイオン電池の電解液は、電解質と有機溶媒の選定と、電池特性評価を組み合わせて進められる。本論文では、電解液に含まれる溶媒和構造やその還元安定性の分子論的な描像をもとに、材料設計上の指標の獲得を目指した。電解質濃度や電解質、溶媒種に依存した還元安定性を理論的に予測し、その結果と、充放電過程で生成する電解液の分解物の定性、定量分析結果を対照することで、電解液の分解メカニズムや電気化学特性を予測可能であることを示した。, The electrolyte solutions for lithium ion batteries are designed through a combination of electrolyte salts, organic solvents and their battery performance. In this paper, we have tried to obtain some insights for effective electrolyte solution design based on the molecular description of solvation structures and their reduction stability. Theoretical predictions of the reduction stability depending on electrolyte concentration, salt and solvent species, have been contrasted with the results of qualitative and quantitative analysis of electrolyte decomposition products generated on graphite negative electrodes. It was shown that the decomposition mechanism and electrochemical stability of electrolyte solutions can be well described by the combination of theoretical predictions and their experimental verifications., application/pdf}, title = {Theoretical prediction and experimental verification of SEI composition formed on negative electrodes in lithium ion batteries}, year = {}, yomi = {アオキ, ヤスヒト} }