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A Journey into the Electrochemical Energy Devices World from a Multiscale Modeling Perspective
Jueves, 23 Marzo 2017, 15:00 - 17:00
Seminario a cargo del Dr. Alejandro Franco

Laboratoire de Réactivité et Chimie des Solides - UMR CNRS 7314, Université de Picardie Jules Verne

33 Rue Saint Leu, 80039 Amiens Cedex

Réseau sur le Stockage Electrochimique de l’Energie (RS2E) - FR CNRS 3459, France

ALISTORE-ERI, European Research Institute, FR CNRS 3104, France

Institut Universitaire de France, 103 Boulevard Saint-Michel, 75005 Paris, France



www.modeling-electrochemistry.com

Abstract:

The increasing use of renewable energies and the shift to an electricity-based economy is underway in our societies as a result of the escalating cost of oil, the foreseeable depletion of the finite supply, and severe damage to climate, environment, and human health due to the use of such fossil fuels. This emerging new world blueprint leads into an increasing demand for efficient and sustainable electrical energy storage and conversion devices. Within the spectrum of energy devices, the so-called rechargeable batteries and fuel cells, are called to play a significant role. However, several performance, durability and safety challenges need still to be overcome for their widespread application. Because of the numerous competing mechanisms at multiple materials, their design reveals to be a complex optimization problem where different spatiotemporal scales have to be considered simultaneously.
In this seminar I provide a comprehensive review on the fundamentals and practical aspects of our in-house multiscale modeling approach for the analysis of physicochemical mechanisms in this type of devices. This approach allows linking the chemical/microstructural properties of materials and components with their macroscopic efficiency and durability. In combination with “model” experiments, it can provide significant progress in designing and optimizing the next-generation cells. The analysis and prediction capabilities of our approach is illustrated through concrete examples in relation to the R&D on next-generation lithium ion, lithium air, lithium sulfur batteries and fuel cells. Finally, I discuss technical dreams and methodological challenges being faced today towards the development of the next-generation computational tools in academia and in industry to stimulate future breakthroughs in battery technologies.
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