Related papers: Efficient electrochemical model for lithium-ion ce…
Physico-chemical continuum battery models are typically parameterized by manual fits, relying on the individual expertise of researchers. In this article, we introduce a computer algorithm that directly utilizes the experience of battery…
Lithium-ion (Li-ion) batteries are ubiquitous in electric vehicles (EVs) as efficient energy storage devices. The reliable operation of Li-ion batteries depends critically on the accurate estimation of battery capacity. However,…
As the global focus on combating environmental pollution intensifies, the transition to sustainable energy sources, particularly in the form of electric vehicles (EVs), has become paramount. This paper addresses the pressing need for Smart…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
This study provides a comprehensive overview of recent advances in electrochemical energy storage, including Na+ -ion, metal-ion, and metal-air batteries, alongside innovations in electrode engineering, electrolytes, and solid-electrolyte…
A novel approach is presented to efficiently include transport effects in thin active material coating layers of all-solid-state batteries using a dimensionally reduced formulation embedded into a three-dimensionally resolved coupled…
Lithium-ion batteries (LIBs) are becoming an important energy storage solution to achieve carbon neutrality, but it remains challenging to characterise their internal states for the assurance of performance, durability and safety. This work…
Parameterisation of coupled degradation mechanisms in lithium-ion batteries is a major challenge. Interactions between the mechanisms depend on usage conditions: C-rate, rest state-of-charge (SoC), depth-of-discharge (DoD) and temperature.…
In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…
To develop a high-density and long-life lithium-ion battery, a technology is needed that allows non-destructive visualization of the spatial distribution of deteriorated parts after cycle test. In the present study, we measured the…
Advanced battery management is to lithium-ion battery systems as the brain is to the human body. Its performance rests on the use of battery models that are both fast and accurate. However, mainstream equivalent circuit models and…
Nowadays, automobile is facing the trend of electrification. Lithium-ion batteries is widely used as their power supplies. Lithium-ion battery has complex characteristics, as a result, Lithium-ion battery needs optimal charging strategies…
Untangling the relationship between reactions, mass transfer, and temperature within lithium-ion batteries enables control approaches that mitigate thermal hot spots and slow degradation. Here, we develop an efficient physics-based…
The growing deployment of electric mobility calls for power system analyses to investigate to what extent the simultaneous charging of electric vehicles leads to degraded network operation and to validate the efficiency of countermeasures.…
Enhancing the ion conduction in solid electrolytes is critically important for the development of high-performance all-solid-state lithium-ion batteries (LIBs). Lithium thiophosphates are among the most promising solid electrolytes, as they…
All-solid-state batteries hold great promise for electric vehicle applications due to their enhanced safety and higher energy density. However, further performance optimization requires a deeper understanding of their degradation…
We study the oxo-hexametallate Li$_7$TaO$_6$ with first-principles and classical molecular dynamics simulations, obtaining a low activation barrier for diffusion of $\sim$0.29 eV and a high ionic conductivity of $5.7 \times 10^{-4}$ S…
This paper presents a novel diffuse-interface electrochemical model that simultaneously simulates the evolution of the metallic negative electrode and interfacial voids during the stripping and plating processes in solid-state batteries.…
This paper examines the problem of estimating the parameters of a Lithium-Sulfur (LiS) battery from experimental cycling data. LiS batteries are attractive compared to traditional Lithium-Ion batteries, thanks largely to their potential to…
Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…