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

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...

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Autores principales:	S. Hamidreza Beheshti, Mehran Javanbakht, Hamid Omidvar, Hamidreza Behi, Xinhua Zhu, Mesfin Haile Mamme, Annick Hubin, Joeri Van Mierlo, Maitane Berecibar
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	solid–electrolyte interphase electrolyte additive molecular tunning SEI stability irreversible capacity loss lithium-ion battery Technology T
Acceso en línea:	https://doaj.org/article/db775306f8594a6aa81ac4820fb4c891
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spelling	oai:doaj.org-article:db775306f8594a6aa81ac4820fb4c8912021-11-11T16:04:20ZEffects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries10.3390/en142173521996-1073https://doaj.org/article/db775306f8594a6aa81ac4820fb4c8912021-11-01T00:00:00Zhttps://www.mdpi.com/1996-1073/14/21/7352https://doaj.org/toc/1996-1073The 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.S. Hamidreza BeheshtiMehran JavanbakhtHamid OmidvarHamidreza BehiXinhua ZhuMesfin Haile MammeAnnick HubinJoeri Van MierloMaitane BerecibarMDPI AGarticlesolid–electrolyte interphaseelectrolyte additivemolecular tunningSEI stabilityirreversible capacity losslithium-ion batteryTechnologyTENEnergies, Vol 14, Iss 7352, p 7352 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	solid–electrolyte interphase electrolyte additive molecular tunning SEI stability irreversible capacity loss lithium-ion battery Technology T
spellingShingle	solid–electrolyte interphase electrolyte additive molecular tunning SEI stability irreversible capacity loss lithium-ion battery Technology T S. Hamidreza Beheshti Mehran Javanbakht Hamid Omidvar Hamidreza Behi Xinhua Zhu Mesfin Haile Mamme Annick Hubin Joeri Van Mierlo Maitane Berecibar Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries
description	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.
format	article
author	S. Hamidreza Beheshti Mehran Javanbakht Hamid Omidvar Hamidreza Behi Xinhua Zhu Mesfin Haile Mamme Annick Hubin Joeri Van Mierlo Maitane Berecibar
author_facet	S. Hamidreza Beheshti Mehran Javanbakht Hamid Omidvar Hamidreza Behi Xinhua Zhu Mesfin Haile Mamme Annick Hubin Joeri Van Mierlo Maitane Berecibar
author_sort	S. Hamidreza Beheshti
title	Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries
title_short	Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries
title_full	Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries
title_fullStr	Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries
title_full_unstemmed	Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries
title_sort	effects of structural substituents on the electrochemical decomposition of carbonyl derivatives and formation of the solid–electrolyte interphase in lithium-ion batteries
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/db775306f8594a6aa81ac4820fb4c891
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Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries

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