ISSN: 2161-0398
+44 1478 350008
Byungchan Han, Choa Kwon, Jeeming Hwang and Seunghyo Noh
Yonsei University, Korea
Posters & Accepted Abstracts: J Phys Chem Biophys
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.
Email: bchan@yonsei.ac.kr