Simulation assisted design of lco cathode materials with high performance stability

Zhuoyuan Zheng, Parth Bansal, Pingfeng Wang, Yumeng Li

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Lithium cobalt oxide (LCO) cathode is one of the most commonly used positive active materials for lithium ion batteries (LIBs). However, one reliability issue that limits its applications is the presence of moisture adsorbing on the LCO cathode surface, which may react with the electrolyte and lead to detrimental effects. In this study, a novel LCO thin filmcathode is proposed, by adding a layer of high diffusion resistant (003) phase of LCO as the protective coating onto the diffusion favorable (110) phase, in order to simultaneously achieve good electrochemical performance and chemical stability of the LIB. A multi-physics-based finite element model is built to investigate the performance of the cathode and the influences of the design and operation variables, including the layout the two crystal phases, the fraction of each phase and the lithiation C rate. In addition, a Gaussian Process based surrogate model is developed, using the simulated results from the FE model as training data, to efficiently explore the design space of the cathode. It is found that, the 110//003 layout cathode could provide high capacity and good rate performance; meanwhile, the 003//110 design may lead to a largely reduced capacity, especially at high lithiation C rates.

Original languageEnglish (US)
Title of host publication46th Design Automation Conference (DAC)
PublisherAmerican Society of Mechanical Engineers (ASME)
ISBN (Electronic)9780791884003
DOIs
StatePublished - 2020
EventASME 2020 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, IDETC-CIE 2020 - Virtual, Online
Duration: Aug 17 2020Aug 19 2020

Publication series

NameProceedings of the ASME Design Engineering Technical Conference
Volume11A-2020

Conference

ConferenceASME 2020 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, IDETC-CIE 2020
CityVirtual, Online
Period8/17/208/19/20

Keywords

  • Finite element modeling
  • Gaussian Process based model
  • Lithium cobalt oxide
  • Lithium ion battery

ASJC Scopus subject areas

  • Mechanical Engineering
  • Computer Graphics and Computer-Aided Design
  • Computer Science Applications
  • Modeling and Simulation

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