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September 10, 2015


Computational Material Design and Energy Applications

Jer-Lai Kuo
Institute of Atomic and Molecular Science, Academia Sinica, Taipei, Taiwan

Date: September 10, 2015 (Thursday)
Time: 15:40
Place: Physics Seminar Room SA 240

HOST: Balázs Hetényi


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 yet [1]. Furthermore, their potential applications to adsorption of Li (for battery and hydrogen storage [2]) and hydrogen evolution reactions [3] 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. uydu Phys. Chem. C, 118, 20383 (2014)

[4]  D. haritalar B. Putungan, S-H Lin, and J-L Kuo, Phys. Chem. Chem. Phys., 17, 11367 (2015)