User Cases

>

Simulating Electrolyte Decomposition for Battery R&D | QuantistryLab Reaction Discovery

Batteries

Simulating Electrolyte Decomposition for Battery R&D | QuantistryLab Reaction Discovery

August 13, 2024

Over time, the chemicals that make up a battery’s electrolyte will degrade, especially when exposed to high temperatures. This is a major challenge in battery R&D, since electrolyte decomposition can significantly affect a battery’s cycle life and calendar life. In addition, some of the chemical compounds formed as a result of the electrolyte decomposition can be toxic, corrosive, or generate gases that can increase the risk of an explosion.  

In the past decade, the demand for batteries with higher energy storage capacity and faster charging rates has grown massively. Lithium-ion batteries are currently the gold standard — they're commonly found in electric vehicles, laptops, smartphones, and many other electronic devices.  

Unlock The Full Article For Free!

Get Access

Share

Recommended Use Cases

Batteries
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.

Learn More
Lubricants
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.

Learn More
Batteries
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.

Learn More