Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage

This book reviews the use of innovative physical multiscale modeling methods to deeply understand the electrochemical mechanisms and numerically simulate the structure and properties of electrochemical devices for energy storage and conversion.

Prof. Alejandro A. Franco is Full Professor at the Laboratoire de Reactivite et Chimie des Solides (Universite de Picardie Jules Verne and CNRS, Amiens). He headed the Modeling Group of Electrochemical Systems at CEA (Grenoble) in the period 2006-January 2013. Since 11 years, his research activities concerns the understanding of physical electrochemical processes through the use of multiscale modeling approaches and numerical simulation, applied to electrochemical power generators such as Li-ion and Li-air batteries, supercaps, PEM Fuel Cells and Water Electrolyzers. He is the inventor of the MEMEPhys computational software and of the MS LIBER-T simulation package scaling up ab initio and microstructural data at the electrochemical device level. He is author of more than 30 patents in the field of fuel cells and electrochemical devices, and his work has been published in several electrochemistry journals and conferences, 4 book chapters, 37 invited talks (including keynotes and plenary) in international conferences and workshops, and invited lectures in universities and research institutes in foreign countries (Stanford University, NRC of Canada, Max Planck Institute, LBNL, ANL, MIT...). He delivered invited tutorials within the ISE and CECAM, and he will deliver one in the incoming 225th ECS meeting (Orlando, USA). He edited by invitation 1 book on the topic of PEMFC (Pan Stanford/CRC Press). He is organizer/co-organizer of 5 international symposia on modeling of electrochemical devices within the ISE. He was invited to be Guest Editor of the journal Electrochim. Acta in 2011 and in 2013. In 2005, he was finalist for the Young Scientist Award from the International Society for Solid State Ionics. He has been/he is also working package leader or coordinator of several ANR, EU and industry projects. In September 2010 he obtained the French HDR diploma (accreditation to supervise research), and in February 2012 the qualification to be Professor. He is also involved in several teaching activities at the Universite de Picardie Jules Verne, including with a course he created on Fuel Cells within the Erasmus Mundus Master on Materials for Energy Storage and Conversion (MESC).

Dr. Wolfgang G. Bessler is full Professor for Process Simulation and member of the Institute of Energy System Technology (INES) at Offenburg University of Applied Sciences, Offenburg, Germany. His research topic is computational battery and fuel cell technology. He develops and applies multi-scale and multi-physics mathematical models in order to understand and optimize electrochemical cells (batteries and fuel cells). A particular focus is being put on a detailed, elementary kinetic description of chemical reactions in cell-level models. More recent work includes the integration of electrochemical cells into energy systems, for example, electric cars and smart microgrids. Being a chemist, Dr. Bessler received his doctoral (2003) and habilitation (2008) degrees from Heidelberg University. From 2008-2012 he was heading the computational electrochemistry group at German Aerospace Center Stuttgart. He joined Offenburg University of Applied Sciences in 2012. Dr. Bessler has published over 110 papers, out of which 50 in peer-reviewed scientific journals.

Dr. Marie Liesse Doublet is Research Director at the French Centre National de Recherche Scientifique (CNRS). She received her PhD in Materials Computational Science in 1994 from the University of Paris-Sud Orsay and spent a postdoctoral year in Amsterdam before moving to Montpellier where she obtained her Research Habilitation. She has been working in the field of Energy Storage Materials since a decade with a particular emphasis on developing strong interactions with many experimental groups. In few years she became an international leader receiving many invitations to speak at major international conferences and publishing in high ranking journals. The originality of her work relies on the development of conceptual tools and methodologies to translate the macroscopic behavior of electrode materials into meaningful and intuitive concepts which are very familiar to chemists. Her main contribution to the field is the development of unique and original approaches to material design and interface electrochemistry. Her dedication to rationalize condensed matter properties through orbital interactions as the starting point is illustrated in a recent book devoted to Orbital Approach to the Electronic Structure of Solids (Ed. Oxford University Press). She is the head of the Theory group of the French Network on Electrochemical Energy Storage (RS2E) in which she acts as a leader to federate French computational chemists and physicists around collaborative projects. She is also the head of the Condensed Matter Modeling group at the Institut Charles Gerhardt (CNRS - Universite Montpellier 2) where she is supervising several Postdoc, Ph.D and Master students in the field of computational science for material properties."