Simulation Tools for Electrolyte Characterization with QuantistryLab
October 10, 2024
Lithium-ion batteries are the most established technology for applications ranging from personal electronics to electric vehicles, thanks to their competitive properties, such as high energy density and long lifespan. These characteristics have led lithium-ion batteries to become the gold standard across multiple industries, particularly in those where storing large amounts of energy within a limited volume or weight is essential.
However, as technology advances, the demand for batteries with higher energy density, along with enhanced performance and safety, is rapidly rising. A major driving force behind this trend is the automotive industry, where over the past decade, the average energy density has risen by over 66%, from 150 Wh/kg to 250 Wh/kg. This rapid progress in battery performance has primarily resulted from R&D efforts on battery materials.
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Optimization of Electrolyte Formulation for Battery Materials | QuantistryLab Viscosity Simulations
Optimizing electrolyte formulations is essential for the development of high-performance batteries. This use case explores how the QuantistryLab platform enables users to simulate and predict the viscosity of an electrolyte formulation.
Surface Adsorption of Additives
The interaction of the lubricant components with metallic or oxidized surfaces plays a fundamental role in the formation of a protective film. Atomistic simulations provide in-depth insights into the adsorption of additives on the surfaces, their binding mode and binding strength.
Electrode materials with optimal open circuit voltages (OCVs)
The energy density of a battery cell largely depends on the materials used, making the search for optimal material compositions an important aspect of battery R&D.