Designing novel materials for high-energy density batteries with cognitive and modeling strategies


Event details

Date and time 16.11.2015 13:1514:15  
Place and room
Speaker Dr. Ivano Tavernelli, IBM Zürich
Category Conferences - Seminars
In 2009, IBM Research embarked into an extremely challenging project, the ultimate goal of which is to deliver a new type of battery that will allow to drive an electric vehicle for 500 miles without intermediate recharging. The battery considered the most promising candidate to achieve this goal is based on lithium and oxygen, commonly known as Lithium/Air battery, potentially delivering energy densities one order of magnitude larger than state-of-the-art electrochemical cells. ! In this talk, I will present the results of our computational investigations for nonaqueous lithium/air electrochemical cells with particular attention to the chemical stability of different candidate solvents versus solid lithium peroxide[2] and to the understanding of novel solid-state lithium-ion conducting ceramics[3]. Particular emphasis will be given to the latest approaches combining materials science simulations and cognitive computing (MARVEL) to propose alternative materials with enhanced stability to ensure an appropriate reversible electro-chemical reaction and finally contribute to the optimization of a key technology for electric vehicles.
[1] T. Laino, A. Curioni, Chemistry: A European Journal, 2012;18(12):3510-20
[2] T. Laino, A. Curioni, New J. Phys., 2013; 15 : 095009
[3] K. Meier, T. Laino, A. Curioni, J. Phys. Chem. C, 2014, 118, 6668

Practical information

  • General public
  • Free


  • Michele Ceriotti


  • Michele Ceriotti

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