Density Functional Study of Oxygen Reduction Reaction on Oxygen Doped Graphene

DOI

10.2991/lemcs-15.2015.112How to use a DOI?

Keywords

Oxygen doped graphene; ORR; Catalysis; DFT; Adsorption

Abstract

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.

Copyright

© 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/).

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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  -