Premium
Modeling the Metal–Insulator Phase Transition in Li x CoO 2 for Energy and Information Storage
Author(s) -
Nadkarni Neel,
Zhou Tingtao,
Fraggedakis Dimitrios,
Gao Tao,
Bazant Martin Z.
Publication year - 2019
Publication title -
advanced functional materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 6.069
H-Index - 322
eISSN - 1616-3028
pISSN - 1616-301X
DOI - 10.1002/adfm.201902821
Subject(s) - materials science , insulator (electricity) , neuromorphic engineering , phase (matter) , crystallite , metal–insulator transition , phase transition , chemical physics , voltage , electrode , energy storage , metal , condensed matter physics , nanotechnology , optoelectronics , thermodynamics , chemistry , electrical engineering , metallurgy , physics , organic chemistry , engineering , machine learning , artificial neural network , computer science , power (physics)
An electro‐chemomechanical phase‐field model is developed to capture the metal–insulator phase transformation along with the structural and chemical changes that occur in Li x CoO 2 in the regular operating range of 0.5 < x < 1. Under equilibrium, in the regime of phase coexistence, it is found that transport limitations lead to kinetically arrested states that are not determined by strain‐energy minimization. Further, lithiation profiles are obtained for different discharging rates and the experimentally observed voltage plateau is observed. Finally, a simple model is developed to account for the conductivity changes for a polycrystalline Li x CoO 2 thin film as it transforms from the metallic phase to the insulating phase and a strategy is outlined for memristor design. The theory can therefore be used for modeling Li x CoO 2 ‐electrode batteries as well as low voltage nonvolatile redox transistors for neuromorphic computing architectures.