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Alternative Single‐Solvent Electrolytes Based on Cyanoesters for Safer Lithium‐Ion Batteries
Author(s) -
Brox Sebastian,
Röser Stephan,
Husch Tamara,
Hildebrand Stephan,
Fromm Olga,
Korth Martin,
Winter Martin,
CekicLaskovic Isidora
Publication year - 2016
Publication title -
chemsuschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.412
H-Index - 157
eISSN - 1864-564X
pISSN - 1864-5631
DOI - 10.1002/cssc.201600369
Subject(s) - electrolyte , anode , electrochemistry , compatibility (geochemistry) , materials science , lithium (medication) , solvent , graphite , chemical engineering , nanotechnology , chemistry , electrode , organic chemistry , composite material , medicine , engineering , endocrinology
To identify alternative single‐solvent‐based electrolytes for application in lithium‐ion batteries (LIBs), adequate computational methods were applied to screen specified physicochemical and electrochemical properties of new cyanoester‐based compounds. Out of 2747 possible target compounds, two promising candidates and two structurally equivalent components were chosen. A constructive selection process including evaluation of basic physicochemical properties as well assessing the compatibility towards graphitic anodes was initiated to identify the most promising candidates. With addition of a film‐forming additive in a low concentration, the most promising candidate showed an adequate long‐term cycling stability with LiNi 1/3 Mn 1/3 Co 1/3 O 2 [NMC(111)] in a full‐cell setup using graphite as anode material. The main advantages of the new electrolyte formulation are related to its good thermal behavior, especially with regard to safety in combination with satisfying electrochemical performance.