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Rational design of common transition metal-nitrogen-carbon catalysts for oxygen reduction reaction in fuel cells

Title
Rational design of common transition metal-nitrogen-carbon catalysts for oxygen reduction reaction in fuel cells
Authors
Zheng, Y[Zheng, Yongping]Yang, DS[Yang, Dae-Soo]Kweun, JM[Kweun, Joshua M.]Li, C[Li, Chenzhe]Tan, K[Tan, Kui]Kong, FT[Kong, Fantai]Liang, CP[Liang, Chaoping]Chabal, YJ[Chabal, Yves J.]Kim, YY[Kim, Yoon Young]Cho, M[Cho, Maenghyo]Yu, JS[Yu, Jong-Sung]Cho, K[Cho, Kyeongjae]
DGIST Authors
Yang, DS[Yang, Dae-Soo]; Yu, JS[Yu, Jong-Sung]
Issue Date
2016-12
Citation
Nano Energy, 30, 443-449
Type
Article
Article Type
Article
ISSN
2211-2855
Abstract
Bio-inspired non-precious-metal catalysts based on iron and cobalt porphyrins are promising alternatives to replace costly platinum-based catalysts for oxygen reduction reaction (ORR) in fuel cells. However, the exact nature of the active sites is still not clearly understood, and further optimization design is needed for practical applications. Here, we report a rational catalyst design process by combining density functional theory (DFT) calculations and experimental validations. Two sets of square-planar (MNxC4-x) and square-pyramid (MNxC5-x) active centers (M=Mn, Fe, Co, Ni) incorporated in graphene were examined using DFT. Fe-N-5 and Co-N-4 sites were identified theoretically to have the best performance in fuel cells, while Ni-NxC4-x sites catalyze the most H2O2 byproduct. Graphene samples with well-dispersed incorporations of metals were synthesized, and the following electrochemical measurements show an excellent agreement with the theoretical predictions, indicating that a successful design framework and systematic understanding toward the catalytic nature of these materials are established.
URI
http://hdl.handle.net/20.500.11750/2150
DOI
10.1016/j.narioen.2016.10.037
Publisher
Elsevier B.V.
Related Researcher
  • Author Yu, Jong Sung Light, Salts and Water Research Group
  • Research Interests Materials chemistry; nanomaterials; electrochemistry; carbon and porous materials; fuel cell; battery; supercapacitor; sensor and photochemical catalyst
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Collection:
ETC1. Journal Articles


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