Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters
Only limited information is available regarding the manner in which cyclic carbonate and ester solvents coordinate Li+ cations in electrolyte solutions for lithium batteries. One approach to gleaning significant insight into these interactions is to examine crystalline solvate structures. To this end, eight new solvate structures are reported with ethylene carbonate, γ-butyrolactone and γ-valerolactone: (EC)3:LiClO4, (EC)2:LiClO4, (EC)2:LiBF4, (GBL)4:LiPF6, (GBL)1:LiClO4, (GVL)1:LiClO4, (GBL)1:LiBF4 and (GBL)1:LiCF3SO3. The crystal structure of (EC)1:LiCF3SO3 is also re-reported for comparison. These structures enable the factors which govern the manner in which the ions are coordinated and the ion/solvent packing—in the solid-state—to be scrutinized in detail.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1166864
- Report Number(s):
- PNNL-SA-104019
- Journal Information:
- Journal of Physical Chemistry C, 118(45):25884-25889, Journal Name: Journal of Physical Chemistry C, 118(45):25884-25889
- Country of Publication:
- United States
- Language:
- English
Similar Records
Electrochemical studies in cyclic esters
Competitive Lithium Solvation of Linear and Cyclic Carbonates from Quantum Chemistry