1. Sustainable Energy Technologies

    "First Principles Study on the Electrode Materials for Li/Na Rechargeable Batteries"

    Presented by Dong-Hwa Seo, Department of Materials Science and Engineering, Seoul National University, Korea, Republic of (South)

    Wednesday, April 24, 2013, 2 pm
    Bldg. 815 1st Floor Conference Room

    Hosted by: Feng Wang

    Electrochemical energy storage devices are attracting tremendous interest due to the recent growing importance of sustainability and environmental concerns. The lithium rechargeable batteries are one of the most advanced energy storage systems and serves as a major power source for various small electronic devices. With the growing interest in power sources for large applications such as the HEV (hybrid electric vehicle) or PHEV (plug-in hybrid electric vehicle), lithium rechargeable batteries are finding new opportunities in this emerging area. Intensive research efforts are focused on developing suitable electrode material, the key component of lithium rechargeable battery, for these applications. The new electrode materials for lithium rechargeable battery for use in HEVs and PHEVs requires high stability, high power, high energy and low cost. In this talk, I will present our recent results of first principles study on the various electrode materials such as multi-component olivine phosphates,[1,2] lithium metal borates,[3] lithium iron silicate,[4] lithium inserted organic salt[5], lithium/sodium vanadium fluorophosphates[6,7] and lithium titanium oxide. We predicted key properties such as structural evolution, electronic structure, operating voltage and Li diffusivity of these electrode materials for Li rechargeable battery. Fundamental understanding on the electrode properties based on first principles can accelerate to develop new electrode materials. Reference 1. H Gwon, D.-H. Seo, S.-W. Kim, J. Kim, K. Kang, Adv. Funct. Mater., 19, 3285 (2009) 2. D.-H. Seo, H. Gwon, S.-W. Kim, J. Kim, K. Kang, Chem. Mater., 22 (2), 518 (2010) 3. D.-H. Seo, Y.-U. Park, S.-W. Kim, I. Park, K. Kang, Phys. Rev. B, 83, 205127 (2011) 4. D.-H. Seo, H. Kim, I. Park, J. Hong, K. Kang, Phys. Rev. B, 84, 220106(R) (2011) 5. D.-H. Seo,† H. Kim,† H. Kim, W. A. Goddard III, K. Kang, Energy Environ. Sci., 4, 4938 (2011)