Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 2 of 2
Full-Text Articles in Physical Sciences and Mathematics
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 …
Surface Structure And Electrochemical Performance Of Zno Coated Lini1/3Co1/3Mn1/3O2, Chang-Wei Liu, Yu Wang, Yu-Zhong Guo, Lu-Lu Dan, Jian-Hua Wang
Surface Structure And Electrochemical Performance Of Zno Coated Lini1/3Co1/3Mn1/3O2, Chang-Wei Liu, Yu Wang, Yu-Zhong Guo, Lu-Lu Dan, Jian-Hua Wang
Journal of Electrochemistry
The surface of LiNi1/3Co1/3Mn1/3O2 particles were modified by ZnO. Surface structure and electrochemical properties of the coated materials were investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and electrochemical tests. The results show that a ZnO coating affects the surface composition of LiNi1/3Co1/3Mn1/3O2 particles. The surface contents of nickel and manganese increase with the amount of ZnO coating. ZnO can react with LiNi1/3Co1/3Mn1/3O2 and a complex oxide is formed during the heat-treatment at above 400 oC. The …