Home > Publications database > Fe–N–C single-atom catalysts with an axial structure prepared by a new design and synthesis method for ORR > print

001     904174
005     20240712112826.0
024 7 _ |a 10.1039/D1NJ01380G
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024 7 _ |a 0398-9836
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024 7 _ |a 1144-0546
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024 7 _ |a 1369-9261
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024 7 _ |a 2128/30517
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037 _ _ |a FZJ-2021-05744
082 _ _ |a 540
100 1 _ |a Liu, Fan
|0 P:(DE-HGF)0
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245 _ _ |a Fe–N–C single-atom catalysts with an axial structure prepared by a new design and synthesis method for ORR
260 _ _ |a London
|c 2021
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336 7 _ |a ARTICLE
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520 _ _ |a Fe–N–C single-atom catalysts usually exhibit poor ORR activity due to their unsatisfactory O2 adsorption and activation. Here, a new design idea and tailored self-assembly synthesis method are reported to improve their ORR performance. DFT calculations indicate that the ORR electrocatalytic activity of Fe–N–C single-atom catalysts with an axial structure is superior to that of Fe–N–C single-atom catalysts with a Fe–N4 active site. In order to experimentally demonstrate the difference, Fe–N–C single-atom catalysts with a Fe–N5 active site were successfully synthesized on the surface of monolayer graphene. XANES, SEM, HRTEM, XRD, Raman and XPS analyses indicate that the synthesized Fe–N–C catalyst possessed nanofibre morphology and a curved layer-like crystal structure. For comparison, FePc powder was used as the FePc(Fe–N4) catalyst as its molecular structure involves a Fe–N4 active site embedded in carbon six-membered rings. The current density of the synthesized Fe–N5/C@G catalyst at a potential of 0.88 V vs. RHE is 1.65 mA cm−2, which is much higher than that of the FePc(Fe–N4) catalyst (1.04 mA cm−2) and even higher than that of commercial Pt/C catalyst (1.54 mA cm−2). The results are very well consistent with the DFT calculations, verifying the dependability and accuracy of DFT calculations. This work reports a new synthetic idea to obtain better performance and proposes a formation mechanism to explain the process of the synthesis method.
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700 1 _ |a Yan, Ning
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700 1 _ |a Zhu, Guangqi
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700 1 _ |a Liu, Zigeng
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700 1 _ |a Ma, Shenqian
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700 1 _ |a Xiang, Guolei
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700 1 _ |a Wang, Songrui
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700 1 _ |a Liu, Xingjiang
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700 1 _ |a Wang, Wei
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|e Corresponding author
773 _ _ |a 10.1039/D1NJ01380G
|g Vol. 45, no. 29, p. 13004 - 13014
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|t New journal of chemistry
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|y 2021
|x 0398-9836
856 4 _ |y Published on 2021-06-15. Available in OpenAccess from 2022-06-15.
|u https://juser.fz-juelich.de/record/904174/files/Fe%E2%80%93N%E2%80%93C%20single-atom%20catalysts%20with%20an%20axial%20structure%20....pdf
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