Understanding the Effectiveness of Phospholane Electrolyte Additives in Lithium-Ion Batteries under High-Voltage Conditions

Wölke, Christian; Diddens, Diddo; Heidrich, Bastian; Winter, Martin; Cekic-Laskovic, Isidora

Research article (journal) | Peer reviewed

Abstract

Six phospholane functional electrolyte additives that enable the formation of an effective cathode electrolyte interphase (CEI) via a polymerization reaction on the electrode surface were designed, synthesized, and comparatively analyzed by means of complementary experimental and computational methods in order to understand their mode of action in NMC111‖graphite battery cells under high voltage conditions. Two reaction mechanisms, namely a phosphate-based and a phosphonate-based mechanism, were postulated and, based on systematic analysis, the phosphate mechanism was identified as the more likely. Direct correlation of the phospholane's structural features and relevant properties impacting the direct correlation of the phospholane's structural features and relevant properties impacting the overall cycling performance of NMC111‖graphite cells, as depicted by capacity retention, stands for a vital example approach towards identifying promising electrolyte components for advanced, targeted applications.

Details about the publication

JournalChemElectroChem
Volume8
Issue5
Page range972-982
StatusPublished
Release year2021
Language in which the publication is writtenEnglish
DOI10.1002/celc.202100107
Keywordsdensity functional calculations; electrochemistry; lithium-ion batteries; functional electrolyte additive; reaction mechanism

Authors from the University of Münster

Diddens, Diddo
Institute of Physical Chemistry
Heidrich, Bastian
Münster Electrochemical Energy Technology Battery Research Center (MEET)
Winter, Martin
Münster Electrochemical Energy Technology Battery Research Center (MEET)