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In-situ polymerized PEO-based solid electrolytes contribute better Li metal batteries:Challenges,strategies,and perspectives
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作者 zhihui jia Yong Liu +4 位作者 Haoming Li Yi Xiong Yingjie Miao Zhongxiu Liu Fengzhang Ren 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期548-571,共24页
Polyethylene oxide(PEO)-based solid polymer electrolytes(SPEs)with good electrochemical stability and excellent Li salt solubility are considered as one of the most promising SPEs for solid-state lithium metal batteri... Polyethylene oxide(PEO)-based solid polymer electrolytes(SPEs)with good electrochemical stability and excellent Li salt solubility are considered as one of the most promising SPEs for solid-state lithium metal batteries(SSLMBs).However,PEO-based SPEs suffer from low ionic conductivity at room temperature and high interfacial resistance with the electrodes due to poor interfacial contact,seriously hindering their practical applications.As an emerging technology,in-situ polymerization process has been widely used in PEO-based SPEs because it can effectively increase Li-ion transport at the interface and improve the interfacial contact between the electrolyte and electrodes.Herein,we review recent advances in design and fabrication of in-situ polymerized PEO-based SPEs to realize enhanced performance in LMBs.The merits and current challenges of various SPEs,as well as their stabilizing strategies are presented.Furthermore,various in-situ polymerization methods(such as free radical polymerization,cationic polymerization,anionic polymerization)for the preparation of PEO-based SPEs are summarized.In addition,the application of in-situ polymerization technology in PEO-based SPEs for adjustment of the functional units and addition of different functional filler materials was systematically discussed to explore the design concepts,methods and working mechanisms.Finally,the challenges and future prospects of in-situ polymerized PEO-based SPEs for SSLMBs are also proposed. 展开更多
关键词 In-situ polymerization Polyethylene oxide Solid polymer electrolytes Lithium metal anodes
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酚酞指示剂变色原理的计算化学实验研究
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作者 贾智慧 邢惠萍 李玉虎 《大学化学》 CAS 2023年第12期235-241,共7页
针对无机化学课程中最基础的酚酞变色反应,设计了一个面向化学专业大三年级本科生结构化学课程的计算化学实验。应用高斯程序研究酚酞变色反应历程,通过变色前后紫外-可见吸收光谱变化的宏观现象,引导学生从多个微观角度理解酚酞变色反... 针对无机化学课程中最基础的酚酞变色反应,设计了一个面向化学专业大三年级本科生结构化学课程的计算化学实验。应用高斯程序研究酚酞变色反应历程,通过变色前后紫外-可见吸收光谱变化的宏观现象,引导学生从多个微观角度理解酚酞变色反应机理,进行分组知识拓展训练,形成“课堂-微课题-翻转课堂”的科创培育模式。 展开更多
关键词 酚酞指示剂 紫外-可见吸收光谱 几何结构 自然布居分析电荷 自然键轨道
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Solid-state molecular dynamics of a torsion-variable ammonium embedded in a deformable supramolecular framework
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作者 Hui Xiao Liwen Ding +4 位作者 Jingyan Liu zhihui jia Liming Cao Ziyi Du Chunting He 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2023年第2期23-28,共6页
Accompanied by solid-state structural phase transitions,the switchable molecular dynamics(MD)and order-disorder transformation of(i-PrNHMe2)^(+)cation embedded in a deformable{[Ni(NCS)_(6)]^(4-)}_(∞)supramolecular fr... Accompanied by solid-state structural phase transitions,the switchable molecular dynamics(MD)and order-disorder transformation of(i-PrNHMe2)^(+)cation embedded in a deformable{[Ni(NCS)_(6)]^(4-)}_(∞)supramolecular framework are in-depth investigated by variable-temperature tests of single-crystal X-ray diffraction,dielectric measurement,and MD simulation.Interestingly,it is found that the confined swinging or flipping of the(i-PrNHMe_(2))^(+)cation as a whole is assisted by a synergistic change of its torsion angle.This research provides a helpful insight into the solid-state MD of moderate-sized quasi-spherical molecules/ions that feature a flexible inner core. 展开更多
关键词 Solid-state molecular dynamics Supramolecular framework Phase transition DIELECTRIC
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