Multiscale lithium-battery modeling from materials to cells

Li, G. and Monroe, C. W. (2020) Multiscale lithium-battery modeling from materials to cells. Annual Review of Chemical and Biomolecular Engineering, 11, pp. 277-310. (doi: 10.1146/annurev-chembioeng-012120-083016)

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New experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes that occur in battery materials. This vast and ever-growing pool of microscopic data brings with it the challenge of isolating crucial performance-decisive physical parameters, an effort that often requires the consideration of intricate interactions across very different length scales and timescales. Effective physics-based battery modeling emphasizes the cross-scale perspective, with the aim of showing how nanoscale physicochemical phenomena affect device performance. This review surveys the methods researchers have used to bridge the gap between the nanoscale and the macroscale. We highlight the modeling of properties or phenomena that have direct and considerable impact on battery performance metrics, such as open-circuit voltage and charge/discharge overpotentials. Particular emphasis is given to thermodynamically rigorous multiphysics models that incorporate coupling between materials’ mechanical and electrochemical states.

Item Type:Articles
Additional Information:This work was supported by The Faraday Institution, subawards FIRG003 and FIRG007 under grant EP/S003053/1; the UK Engineering and Physical Sciences Research Council, under grant EP/P003532/1; and the UK Industrial Strategy Challenge Fund: Materials Research Hub for Energy Conversion, Capture, and Storage (M-RHEX), under grant EP/R023581/1.
Glasgow Author(s) Enlighten ID:Li, Dr Guanchen
Authors: Li, G., and Monroe, C. W.
College/School:College of Science and Engineering > School of Engineering > Systems Power and Energy
Journal Name:Annual Review of Chemical and Biomolecular Engineering
Publisher:Annual Reviews
ISSN (Online):1947-5446
Published Online:25 March 2020

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