A virtual Li/S battery: Modeling, simulation and computer-aided development

Kurzfassung

Lithium-sulfur batteries exhibit an enormous potential for electrochemical energy storage and gain increasing attention in both industry and science. The theoretical understanding of the complex chemistry present in Li/S cells, however, is still incomplete. Here, a computational model of the Li/S cell is presented, including an elementary reaction mechanism, dissolution and precipitation of solid phases as well as a detailed transport model. In addition to reproducing experimental discharge curves and electrochemical impedance, this model is capable of providing insight into elementary processes and internal states of the battery.