scholarly journals Lithium-ion battery electrolyte mobility at nano-confined graphene interfaces

2016 ◽  
Vol 7 (1) ◽  
Author(s):  
Boaz Moeremans ◽  
Hsiu-Wei Cheng ◽  
Qingyun Hu ◽  
Hector F. Garces ◽  
Nitin P. Padture ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
Lithium Ion ◽  
Battery Electrolyte

Lithium ion battery electrolyte degradation of field-tested electric vehicle battery cells – A comprehensive analytical study

2020 ◽  
Vol 447 ◽  
pp. 227370 ◽  
Author(s):  
Jonas Henschel ◽  
Fabian Horsthemke ◽  
Yannick Philipp Stenzel ◽  
Marco Evertz ◽  
Sabrina Girod ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
Electric Vehicle ◽  
Analytical Study ◽  
Lithium Ion ◽  
Electric Vehicle Battery ◽  
Battery Electrolyte ◽  
Battery Cells

scholarly journals Quantum Chemical Calculations of Lithium-Ion Battery Electrolyte and Interphase Species

2021 ◽  
Author(s):  
Evan Walter Clark Spotte-Smith ◽  
Samuel Blau ◽  
Xiaowei Xie ◽  
Hetal Patel ◽  
Mingjian Wen ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
First Principles ◽  
Quantum Chemical ◽  
State Of The Art ◽  
Solid Electrolyte Interphase ◽  
Lithium Ion ◽  
Chemical Processes ◽  
Fundamental Understanding ◽  
Battery Electrolyte ◽  
Unique Species

Lithium-ion batteries (LIBs) represent the state of the art in high-density energy storage. To further advance LIB technology, a fundamental understanding of the underlying chemical processes is required. In particular, the decomposition of electrolyte species and associated formation of the solid electrolyte interphase (SEI) is critical for LIB performance. However, SEI formation is poorly understood, in part due to insufficient exploration of the vast reactive space. The Lithium-Ion Battery Electrolyte(LIBE) dataset reported here aims to provide accurate first-principles data to improve the understanding of SEI species and associated reactions. The dataset was generated by fragmenting a set of principal molecules, including solvents, salts, and SEI products, and then selectively recombining a subset of the fragments. All candidate molecules were analyzed at the ωB97X-V/def2-TZVPPD/SMD level of theory at various charges and spin multiplicities. In total, LIBE contains structural,thermodynamic, and vibrational information on over 17,000 unique species. In addition to studies of reactivity in LIBs, this dataset may prove useful for machine learning of molecular and reaction properties.

Investigation of thermal aging and hydrolysis mechanisms in commercial lithium ion battery electrolyte

2013 ◽  
Vol 242 ◽  
pp. 832-837 ◽  
Author(s):  
Lydia Terborg ◽  
Sascha Weber ◽  
Franziska Blaske ◽  
Stefano Passerini ◽  
Martin Winter ◽  
...  
Keyword(s):  
Lithium Ion Battery ◽  
Thermal Aging ◽  
Lithium Ion ◽  
Battery Electrolyte
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