Simulation Software(Materials) - List of Manufacturers, Suppliers, Companies and Products

[Example] Reduction of electrolyte and formation of SEI film in MaterialsStudio

"Materials Studio" can perform battery property calculations [Case Study Introduction].

◇Introduction of cases on the reduction of electrolyte and the formation of SEI films - The SEI film refers to the film formed by the decomposition products of the electrolyte on the electrode surface. - It serves to prevent excessive decomposition of the electrode liquid and to regulate the ions absorbed by the electrode; however, an increase in the SEI film can lead to increased electrical resistance and a decline in battery performance. ◆Case Details - A Li / Li2CO3 / EC model was created. - The energy barrier of the SEI film, which plays a role in preventing excessive ion supply to the electrode, can be observed. - The charge transfer coefficient α calculated from the Butler-Volmer equation is approximately 0.22, which matches the experimental value. - This report enabled a bottom-up modeling approach for battery design. 【Product Features】 ■ Also optimal for "Materials Informatics" ■ Simulation software that streamlines material development It can be utilized by those engaged in research, development, design, and manufacturing across various industries. ■ Helps in the development of new materials more efficiently and easily. *For more details, please feel free to contact us. Wavefront Inc. Sales Department MAIL: sales@wavefront.co.jp