Department of Chemistry
Indian Institute of Technology Delhi

Computational Material Design of Two Dimensional Materials and Their Energy Applications

Dr. Jer-Lai Kuo

Institute of Atomic and Molecular Sciences, Academia Sinica

Taipei, Taiwan


Date: Jan 23rd 2019 (Wednesday)
Time: 11:00 AM
Venue: Committee Room (MS710), Chemistry Department, 6th Floor

Two-dimensional materials have attracted attention from both fundamental aspects and application. In this work, we will present some of our recent effort to using first-principles based computational tools to design two-dimensional materials for energy applications. We have explored new possible ionic two dimensional materials and discover some that have not been synthesized yet1. Furthermore, their potential applications to adsorption of Li (for battery and hydrogen storage)2 and hydrogen evolution reactions3,4 are also examined..

  1. Chung-Huai Chang, Xiaofeng Fan, Shi-Hsin Lin, J-L Kuo, Phys. Rev. B, 88, 195420 (2013)
  2. S-H Lin, and J-L Kuo, Phys. Chem. Chem. Phys., 16, 20763 (2014)
  3. Yun-Wen Chen, Yaojun Du, and J-L Kuo, J. Phys. Chem. C, 118, 20383 (2014)
  4. D. B. Putungan, S-H Lin, and J-L Kuo, Phys. Chem. Chem. Phys., 17, 11367 (2015)

  5. All are cordially invited to attend.
    Convener (Chemical Society)