Battery performance hinges on the open circuit voltage (OCV) of electrode materials, which directly impacts energy density. Optimizing OCV is essential for improving lithium-ion battery efficiency, durability, and charge capacity, particularly as demand for high-performance and sustainable cathode materials continues to grow—especially in electric vehicles.

Traditional experimental methods for measuring OCV require multiple time-consuming iterations. QuantistryLab streamlines this process by leveraging computational methods, such as density functional theory (DFT), to predict the OCV profile of electrode materials. In this use case, QuantistryLab simulations accurately modeled the OCV of lithium cobalt oxide, a widely used cathode material, demonstrating strong agreement with experimental data.

By using QuantistryLab's computational simulations to optimize battery materials, users can accelerate battery R&D, reduce costs, and identify promising alternatives to conventional materials—driving the future of energy storage.

How can QuantistryLab’s OCV simulations accelerate battery development? Read more to find out.