Boosting rechargeable batteries R&D by multiscale modeling: myth or reality?

AA Franco, A Rucci, D Brandell, C Frayret… - Chemical …, 2019 - ACS Publications
This review addresses concepts, approaches, tools, and outcomes of multiscale modeling
used to design and optimize the current and next generation rechargeable battery cells …

Electrolytes, SEI formation, and binders: a review of nonelectrode factors for sodium‐ion battery anodes

C Bommier, X Ji - Small, 2018 - Wiley Online Library
Through intense effort in recent years, knowledge of Na‐ion batteries has been advanced
significantly, pertaining to electrodes. Often, such progress has been accompanied by using …

Engineering high-energy-density sodium battery anodes for improved cycling with superconcentrated ionic-liquid electrolytes

DA Rakov, F Chen, SA Ferdousi, H Li, T Pathirana… - Nature materials, 2020 - nature.com
Non-uniform metal deposition and dendrite formation in high-density energy storage devices
reduces the efficiency, safety and life of batteries with metal anodes. Superconcentrated …

Comprehensive insights into electrolytes and solid electrolyte interfaces in potassium-ion batteries

X Zhang, J Meng, X Wang, Z ** next-generation Li-and Na-ion
batteries because they are potentially safer replacements for conventional organic solvents …

Covalent organic frameworks-enhanced ionic conductivity of polymeric ionic liquid-based ionic gel electrolyte for lithium metal battery

Z Wang, W Zheng, W Sun, L Zhao… - ACS Applied Energy …, 2021 - ACS Publications
Ionic gel electrolyte (IGE) is considered as the promising next-generation safe electrolyte for
lithium metal battery (LMB). Herein, the stable crystalline porous material TPB-DMTP-COF …

Pushing the boundaries of lithium battery research with atomistic modelling on different scales

LM Morgan, MP Mercer, A Bhandari, C Peng… - Progress in …, 2021 - iopscience.iop.org
Computational modelling is a vital tool in the research of batteries and their component
materials. Atomistic models are key to building truly physics-based models of batteries and …

From Atoms to Cells: Multiscale Modeling of LiNixMnyCozO2 Cathodes for Li-Ion Batteries

LM Morgan, MM Islam, H Yang, K O'Regan… - ACS Energy …, 2021 - ACS Publications
First-generation cathodes for commercial lithium-ion batteries are based on layered
transition-metal oxides. Research on ternary compounds, such as LiCoO2, evolved into …