Journal of Physical Chemistry & Biophysics
Open Access

First principles design of an active electrocatalyst toward oxygen involved reactions through selfassembled fullerenes from graphene

3^rd International Conference on Electrochemistry

July 10-11, 2017 Berlin, Germany

Byungchan Han, Choa Kwon, Jeeming Hwang and Seunghyo Noh

Yonsei University, Korea

Posters & Accepted Abstracts: J Phys Chem Biophys

Abstract :

Using first principles-based calculations we design a self-assembled fullerene (N-fullerene) from N-doped graphene fragments, which is active for oxygen reduction (ORR) and evolution reaction (OER), applying to energy conversion and storage devices such as fuel cells, metal-air batteries systems. We screen the best N-fullerene catalyst at 10 at.% doping level of nitrogen not at previously known 5 or 20 at.% for graphenes. We identify that compressive surface strain induced by the doped nitrogen plays a key role in the fine-tuning of the catalytic activity.

Biography :

Email: bchan@yonsei.ac.kr