Abstract Since 1994, Kinetic Monte Carlo (kMC) has been applied to the study of Li-ion batteries and has demonstrated to be a remarkable simulation tool to properly describe the …
Cell voltage is a fundamental quantity used to monitor and control Li-ion batteries. The open circuit voltage (OCV) is of particular interest as it is believed to be a thermodynamic quantity …
MP Mercer, M Nagarathinam… - Journal of Materials …, 2023 - pubs.rsc.org
Hard carbons show considerable potential as anode materials in emerging sodium-ion battery technologies. Recent work suggests sodiation of hard carbon proceeds by insertion …
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 …
Shear-phase early transition metal oxides, mostly of Nb, and comprising edge-and corner- shared metal–oxygen octahedra have seen a resurgence in recent years as fast-charging …
The shear-phase compound TiNb 2 O 7 has recently emerged as a safe and high-volumetric density replacement for graphite anodes in lithium ion batteries. An appealing feature of …
We report an application of our unbiased Monte Carlo approach to investigate thermodynamic and electrochemical properties of lithiated manganese oxide in the …
CH Doh, YC Ha, S Eom - Electrochimica Acta, 2019 - Elsevier
As large format lithium ion batteries are used in EV and ESS applications, the temperature control of a battery is important to achieve a safe and long cycle life operation. To control the …
Electrode materials for Li+-ion batteries require optimization along several disparate axes related to cost, performance, and sustainability. One of the important performance axes is …