- 本系公告 /
Multiscale Modeling of Cathode Materials for Li-ion Batteries
By combining density functional theory calculation, thermodynamics consideration, and finite element simulation, influence of doping and substitution on electro-chemo-mechanical properties of Li-based cathodes is studied. Influence of transition metal composition on redox mechanism of bulk, structure of surfaces, grain boundaries, and microstructures as well as stability of layered oxide materials is presented.
Payam Kaghazchi is the head of modeling team at the institute of IEK-1 in the Forschungszentrum Jülich (Germany) as well as associate Professor in the Inorganic Materials Science (IMS) department at the University of Twente in the Netherlands. His research has focused on developing and applying multiscale modeling approaches to simulate and design materials for energy storage and conversion systems. He has published about 120 articles in peer-reviewed scientific journals (including Advanced Energy Materials, Energy & Environmental Science, Materials Today, and Nature Energy).