Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 2 of 2
Full-Text Articles in Engineering
Density Functional Theory Study On The Structures Of Solvent-Ion In The Electrolyte Of Lithium Ion Battery, Li-Dan Xing, Ru Yang, Xian-Wen Tang, Wen-Na Huang, Qi-Feng Liu, Qi-Peng Yu, Wei-Shan Li
Density Functional Theory Study On The Structures Of Solvent-Ion In The Electrolyte Of Lithium Ion Battery, Li-Dan Xing, Ru Yang, Xian-Wen Tang, Wen-Na Huang, Qi-Feng Liu, Qi-Peng Yu, Wei-Shan Li
Journal of Electrochemistry
In this work, the possible structures of solvent-ion complex, resulting from the electrostatic interaction in the propylene carbonate (PC) base electrolyte of lithium ion battery, have been investigated using the density functional theory. The calculated results show that the structure of solvent-ion complex depends on the solvent number. In the PC base electrolyte, maximum number of PC solvents that coexist in the Li+-solvent sheath is four. Additionally, the salt anion exists in a complex with the positively charged alkyl group of PC rather than in a free state. The calculated results give a good explanation to the reported …
Application Of Ionic Liquid Pp14Tfsi In Electrolyte Systems For Rechargeable Mg Batteries, Jin-Jie Zhu, Fei-Fei Wang, Yong-Sheng Guo, Jun Yang, Yan-Na Nuli, Jiu-Lin Wang
Application Of Ionic Liquid Pp14Tfsi In Electrolyte Systems For Rechargeable Mg Batteries, Jin-Jie Zhu, Fei-Fei Wang, Yong-Sheng Guo, Jun Yang, Yan-Na Nuli, Jiu-Lin Wang
Journal of Electrochemistry
A phenolated-based Mg salt was prepared. The mixture of THF and N-methyl-N-butyl-piperidinium bis(trifluoromethanesulfonyl)imide (PP14TFSI) serves as the mixed solvent instead of pure THF for rechargeable Mg batteries systems. This new type of electrolyte system not only has optimal reversibility of Mg, but also owns a wide electrochemical window (2.7 V vs. Mg) and high ionic conductivity (7.77 mS·cm-1). More importantly, the addition of Ionic Liquid suppresses the volatility of THF and improves the safety of rechargeable Mg batteries. The result shows that the mixture of THF and piperidyl-based Ionic Liquid could be regarded as a good solvent candidate …