Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries

S. Hamidreza Beheshti, Mehran Javanbakht, Hamid Omidvar, Hamidreza Behi, Xinhua Zhu, Mesfin Haile Mamme, Annick Hubin, Joeri Van Mierlo and Maitane Berecibar
Additional contact information
S. Hamidreza Beheshti: Research Group MOBI–Mobility, Logistics and Automotive Technology Research Centre, Vrije Universiteit Brussel, 1050 Brussels, Belgium
Mehran Javanbakht: Department of Chemistry, Amirkabir University of Technology, Tehran 159163-4311, Iran
Hamid Omidvar: Department of Mining and Metallurgical Engineering, Amirkabir University of Technology, Tehran 159163-4311, Iran
Hamidreza Behi: Research Group MOBI–Mobility, Logistics and Automotive Technology Research Centre, Vrije Universiteit Brussel, 1050 Brussels, Belgium
Xinhua Zhu: Electrochemical and Surface Engineering Group, Department of Materials and Chemistry, Vrije Universiteit Brussel, 1050 Brussels, Belgium
Mesfin Haile Mamme: Electrochemical and Surface Engineering Group, Department of Materials and Chemistry, Vrije Universiteit Brussel, 1050 Brussels, Belgium
Annick Hubin: Electrochemical and Surface Engineering Group, Department of Materials and Chemistry, Vrije Universiteit Brussel, 1050 Brussels, Belgium
Joeri Van Mierlo: Research Group MOBI–Mobility, Logistics and Automotive Technology Research Centre, Vrije Universiteit Brussel, 1050 Brussels, Belgium
Maitane Berecibar: Research Group MOBI–Mobility, Logistics and Automotive Technology Research Centre, Vrije Universiteit Brussel, 1050 Brussels, Belgium

Energies, 2021, vol. 14, issue 21, 1-12

Abstract: The solid–electrolyte interphase (SEI), the passivation layer formed on anode particles during the initial cycles, affects the performance of lithium-ion batteries (LIBs) in terms of capacity, power output, and cycle life. SEI features are dependent on the electrolyte content, as this complex layer originates from electrolyte decomposition products. Despite a variety of studies devoted to understanding SEI formation, the complexity of this process has caused uncertainty in its chemistry. In order to clarify the role of the substituted functional groups of the SEI-forming compounds in their efficiency and the features of the resulting interphase, the performance of six different carbonyl-based molecules has been investigated by computational modeling and electrochemical experiments with a comparative approach. The performance of the electrolytes and stability of the generated SEI are evaluated in both half-cell and full-cell configurations. Added to the room-temperature studies, the cyclability of the NMC/graphite cells is assessed at elevated temperatures as an intensified aging condition. The results show that structural adjustments within the SEI-forming molecule can ameliorate the cyclability of the electrolyte, leading to a higher capacity retention of the LIB cell, where cinnamoyl chloride is introduced as a novel and more sustainable SEI forming agent with the potential of improving the LIB capacity retention.

Keywords: solid–electrolyte interphase; electrolyte additive; molecular tunning; SEI stability; irreversible capacity loss; lithium-ion battery (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2021
References: View complete reference list from CitEc
Citations: View citations in EconPapers (1)

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