Description
The Abdus Salam International Centre for Theoretical Physics (ICTP) will organize this Workshop to be held at ICTP in Trieste, Italy, from 11 to 15 May 2015. 

PURPOSE: 

This workshop will analyze the state of the art in the field of materials for energy storage, identifying its most pressing problems and most promising solutions. Our main focus will be on elementary atomic-scale mechanisms underpinning physico-chemical and solid-state processes such as lithium insertion and diffusion, hydrogen adsorption/desorption, and electrochemical energy conversion, and their computational modeling by current state of the art and foreseeable new tools. 

TOPICS:  

•	Electrocatalysis for energy storage
•	Lithium-ion and sodium-ion batteries
•	Metal-air and metal-sulfur batteries
•	Redox flow batteries
•	Hydrogen storage
•	Supercapacitors
•	Advanced characterization techniques
•	Computational modeling

The importance of energy storage is likely to increase in the near future. One reason is the increasing presence of renewable energy sources, most of which are irregular. Another reason is the drive towards alternatives to fossil fuels for the transportation sector. Across these fields, requirements on the storage system may be very different, for example in terms of energy and power density. Accordingly different are the investigated solutions, from the employment of hydrogen as a clean storage medium through the further development of batteries to the investigation of supercapacitors. For all these solutions, a key issue is the development of functional materials able to perform the required tasks efficiently, produced from safe, widely available and easy-to-process raw materials.
Our main aim is to discuss the recent progress and identify the main challenges in the current materials and electrocatalysis research for energy storage. The workshop will deal with materials for electrochemical energy conversion, hydrogen storage, lithium-ion, sodium-ion, metal-air and metal-sulfur batteries, redox flow batteries, supercapacitors, including spectroscopic and microscopic techniques for the in-situ characterization of materials, and computational simulations.


Go to day
  • Monday, 11 May 2015
    • 08:30 - 10:00 Welcome
      • 08:30 REGISTRATION 1h0' ( Adriatico guesthouse ( Lower Level 1 ) )
      • 09:30 For administrative formalities 15'
      • 09:45 Welcome & Opening 15'
        Material: Video
    • 10:00 - 13:45 Batteries I
      • 10:00 The role of electrolyte and electrode materials for the progress of lithium-ion and beyond lithium-ion batteries 1h0'
        Speaker: Bruno Scrosati (University La Sapienza, Rome)
        Material: Video
      • 11:00 Coffee Break 30'
      • 11:30 Operando XRD view on the structure of Li2O2 during charge and controlling the morphology using NiO seed crystals to enhance cycle life time of Li-air batteries 1h0'
        Speaker: Swapna Ganapathy (Technical University, Delft - Netherlands)
        Material: Video
      • 12:30 LUNCH BREAK 1h15'
    • 13:45 - 16:00 Atomistic simulations of materials I
      • 13:45 Computational material challenges for high-energy density batteries 1h0'
        Speaker: Teodoro Laino (IBM Zurich)
        Material: Video
      • 14:45 Catalytic interfaces for energy conversion: Ab-initio modelling of novel electrodes from ideal to realistic reaction environments 1h0'
        Speaker: Stefano Fabris (CNR-IOM and SISSA, Trieste)
        Material: Video
      • 15:45 Coffee Break 15'
    • 16:00 - 17:00 Hydrogen Storage I
      • 16:00 Design of molecular electrocatalysts for the production and oxidation of hydrogen 1h0'
        Speaker: Morris Bullock (PNNL, Richland - USA)
        Material: Video
  • Tuesday, 12 May 2015
    • 09:00 - 13:45 Supercapacitors and hybrid systems
      • 09:00 Electrochemical capacitors with aqueous electrolytes 1h0'
        Speaker: Elzbieta Frackowiak (Poznan University of Technology, Poland)
        Material: Video
      • 10:00 Coffee Break 30'
      • 10:30 Porous carbon/electrolyte interactions in electrochemical capacitors 1h0'
        Speaker: Francois Beguin (Poznan University of Technology, Poland)
        Material: Video
      • 11:30 Supercapacitors, pseudocapacitors, and flow capacitors 1h0'
        Speaker: Volker Presser (Leibniz Institute, Germany)
      • 12:30 LUNCH BREAK 1h15'
    • 13:45 - 22:00 Photo-and electro-chemistry at interfaces
      • 13:45 First-principles simulations in realistic electrochemical environments 1h0'
        Speaker: Nicola Marzari (EPFL, Lausanne)
        Material: Video
      • 14:45 Modelling of electrical double layers at metal oxide electrolyte interfaces 1h0'
        Speaker: Michiel Sprik (University of Cambridge, United Kingdom)
        Material: Video
      • 15:45 Coffee Break 15'
      • 16:00 Formic acid as a hydrogen storage material:  Computational studies on its production and decomposition on metal surfaces 1h0'
        Speaker: Felix Studt (SLAC, California - USA)
        Material: Video
      • 19:00 POSTER SESSION 1h0'
      • 20:00 BUFFET DINNER 2h0' ( Adriatico Guest House - Cafeteria )
  • Wednesday, 13 May 2015
    • 09:00 - 13:45 Atomistic simulations of materials II
      • 09:00 Electrochemistry and catalysis at surfaces of manganese oxides: Insights from first-principles 1h0'
        Speaker: David Tompsett (Imperial College, United Kingdom)
        Material: Video
      • 10:00 Coffee Break 30'
      • 10:30 Predicting novel materials and mechanistic understanding for advanced battery chemistries 1h0'
        Speaker: Chris Wolverton (Northwestern University, Evanston - USA)
        Material: Video
      • 11:30 DFT modeling of water oxidation: from molecular catalysts to surface oxides 1h0'
        Speaker: Simone Piccinin (CNR-IOM, Trieste)
        Material: Video
      • 12:30 LUNCH BREAK 1h15'
    • 13:45 - 17:00 Batteries II
      • 13:45 Nanoconfined complex metal hydrides for energy storage 1h0'
        Speaker: Petra de Jongh (Utrecht University, Netherlands)
        Material: Video
      • 14:45 Mechanisms of Li insertion: nanoscopic versus macroscopic picture 1h0'
        Speaker: Miran Gaberscek (National Institute of Chemistry, Ljubljana)
        Material: Video
      • 15:45 Coffee Break 15'
      • 16:00 Sodium-ion batteries: A promising alternative? 1h0'
        Speaker: Stefano Passerini (Helmholz Institute Ulm - Germany)
        Material: Video
  • Thursday, 14 May 2015
    • 09:00 - 13:45 Multi-scale modeling of materials
      • 09:00 A first principles investigation of transition metal dichalcogenide nanotubes for energy applications 1h0'
        Speaker: Caetano Miranda (University of Sao Paulo - Brazil)
        Material: Video
      • 10:00 Coffee Break 30'
      • 10:30 Boosting rechargeable batteries R&D from multiscale modeling and in silico experimentation 1h0'
        Speaker: Alejandro Franco (University of Picardie, France)
        Material: Video
      • 11:30 Modelling ion adsorption and dynamics in nanoporous carbon electrodes 1h0'
        Speaker: Mathieu Salanne (University of Pierre and Marie Curie, Paris)
        Material: Video
      • 12:30 LUNCH BREAK 1h15'
    • 13:45 - 16:00 Carbon-based materials for energy storage
      • 13:45 Computational design of molecular electrocatalysts 1h0'
        Speaker: Simone Raugei (PNNL - Richland, USA)
        Material: Video
      • 14:45 Coffee Break 15'
      • 15:00 Round Table 1h0'
        Speaker: Moderator: Bruce Garrett (PNNL, Richland - USA)
  • Friday, 15 May 2015
    • 09:00 - 11:30 Batteries III
      • 09:00 Mimicking enzymatic function with molecular catalysts using an outer coordination sphere on molecular catalysts 1h0'
        Speaker: Wendy Shaw (PNNL - Richland, USA)
        Material: Video
      • 10:00 Coffee Break 30'
      • 10:30 LiNi0.66Co0.17Mn0.17O2 as a potential cathode material for rechargeable lithium ion batteries 20'
        Speaker: Jose Saavedra Arias (Universidad Nacional, Heredia - Costa Rica)
        Material: Video
      • 10:50 Direct Synthesis of C-doped TiO2-B Nanowires as an Anode Materials for Lithium Ion Batteries with High Rate Performance 20'
        Speaker: Subrahmanyam Goriparti (Istituto Italiano di Tecnologia, Genoa)
        Material: Video
      • 11:10 DFT-MD Study on Reaction Mechanisms in Highly Concentrated Li-salt Electrolyte: A new class of electrolyte for batteries 20'
        Speaker: Yoshikata Tateyama (National Institute for Materials Science, Ibaraki - Japan)
        Material: Video
    • 11:30 - 12:45 Hydrogen Storage I
      • 11:30 Recent progress in hydrogen storage on MOFs 1h0'
        Speaker: Michael Hirscher (MPI for Intelligent Systems, Stuttgart - Germany)
        Material: Video
      • 12:30 Final Considerations 15'
      • 12:45 LUNCH BREAK