Density Functional Study of Oxygen Reduction Reaction on Oxygen Doped Graphene
Jianping Sun, Xiaodong Liang
Available Online July 2015.
- 10.2991/lemcs-15.2015.112How to use a DOI?
- Oxygen doped graphene; ORR; Catalysis; DFT; Adsorption
Oxygen doped graphene catalyzing Oxygen Reduction Reaction (ORR) was studied using density functional theory (DFT). The active site of the catalyst was studied, the ORR reaction path was analyzed, and the mechanism was discussed. The results show that similar to N-doped graphene, ORR reaction intermediates absorbed on the neighbor carbon atom adjacent to the oxygen atom. The doped graphene has obviously catalytic effect on absorbed OOH and O2, and the reaction follows the four-electronic transfer path.
- © 2015, the Authors. Published by Atlantis Press.
- Open Access
- This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).
Cite this article
TY - CONF AU - Jianping Sun AU - Xiaodong Liang PY - 2015/07 DA - 2015/07 TI - Density Functional Study of Oxygen Reduction Reaction on Oxygen Doped Graphene BT - Proceedings of the International Conference on Logistics, Engineering, Management and Computer Science PB - Atlantis Press SP - 586 EP - 591 SN - 1951-6851 UR - https://doi.org/10.2991/lemcs-15.2015.112 DO - 10.2991/lemcs-15.2015.112 ID - Sun2015/07 ER -