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000904174 0247_ $$2doi$$a10.1039/D1NJ01380G
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000904174 1001_ $$0P:(DE-HGF)0$$aLiu, Fan$$b0
000904174 245__ $$aFe–N–C single-atom catalysts with an axial structure prepared by a new design and synthesis method for ORR
000904174 260__ $$aLondon$$bRSC$$c2021
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000904174 520__ $$aFe–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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000904174 7001_ $$0P:(DE-HGF)0$$aYan, Ning$$b1
000904174 7001_ $$0P:(DE-HGF)0$$aZhu, Guangqi$$b2
000904174 7001_ $$0P:(DE-Juel1)172733$$aLiu, Zigeng$$b3
000904174 7001_ $$0P:(DE-HGF)0$$aMa, Shenqian$$b4
000904174 7001_ $$0P:(DE-HGF)0$$aXiang, Guolei$$b5
000904174 7001_ $$0P:(DE-HGF)0$$aWang, Songrui$$b6
000904174 7001_ $$0P:(DE-HGF)0$$aLiu, Xingjiang$$b7
000904174 7001_ $$0P:(DE-HGF)0$$aWang, Wei$$b8$$eCorresponding author
000904174 773__ $$0PERI:(DE-600)1472933-7$$a10.1039/D1NJ01380G$$gVol. 45, no. 29, p. 13004 - 13014$$n29$$p13004 - 13014$$tNew journal of chemistry$$v45$$x0398-9836$$y2021
000904174 8564_ $$uhttps://juser.fz-juelich.de/record/904174/files/Fe%E2%80%93N%E2%80%93C%20single-atom%20catalysts%20with%20an%20axial%20structure%20....pdf$$yPublished on 2021-06-15. Available in OpenAccess from 2022-06-15.
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