10.1021/acs.iecr.7b03417.s001
Xiang Zhou
Xiang
Zhou
Yi-jing Gao
Yi-jing
Gao
Sheng-wei Deng
Sheng-wei
Deng
Shan Cheng
Shan
Cheng
Shao-hua Zhang
Shao-hua
Zhang
Hui Hu
Hui
Hu
Gui-lin Zhuang
Gui-lin
Zhuang
Xing Zhong
Xing
Zhong
Jian-guo Wang
Jian-guo
Wang
Improved Oxygen Reduction Reaction Performance of
Co Confined in Ordered N‑Doped Porous Carbon Derived from ZIF-67@PILs
American Chemical Society
2017
DFT calculation results
ORR property
reaction species
Oxygen Reduction Reaction Performance
ZIF -67 MOF microcrystal
oxygen reduction reaction
MD
Co
2017-09-07 00:00:00
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Improved_Oxygen_Reduction_Reaction_Performance_of_Co_Confined_in_Ordered_N_Doped_Porous_Carbon_Derived_from_ZIF-67_PILs/5432803
Diffusion and activation
of reaction species are two critical factors
of oxygen reduction reaction (ORR). Diffusion property is essentially
dominated by transmission of reaction species in the channel of catalysts.
Herein, we report a facile method to prepare ordered-carbon coated
Co nanoparticle (Co@O-NPC). Specifically, we mixed ZIF-67 MOF microcrystal
into an ionic liquid monomer which resulted in ZIF-67@PILs composites.
Subsequently, Co@O-NPC was obtained by the high-temperature pyrolysis
of ZIF-67@PILs. Electrochemical measurements show that it possesses
superior ORR property compared to commercial Pt/C. A combination of
molecular dynamics (MD) calculations and contrast experimental results
reveals that the ordered porous carbon structure can improve the diffusivity
of reaction species more effectively than disordered carbon, thereby
enhancing ORR property. Moreover, DFT calculation results demonstrate
that the catalytically active sites are located on the cavity bottom
of Co@O-NPC and uncover the synergistic effect between Co nanoparticles
and N-doped porous carbon.