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@ARTICLE{Liu:904174,
      author       = {Liu, Fan and Yan, Ning and Zhu, Guangqi and Liu, Zigeng and
                      Ma, Shenqian and Xiang, Guolei and Wang, Songrui and Liu,
                      Xingjiang and Wang, Wei},
      title        = {{F}e–{N}–{C} single-atom catalysts with an axial
                      structure prepared by a new design and synthesis method for
                      {ORR}},
      journal      = {New journal of chemistry},
      volume       = {45},
      number       = {29},
      issn         = {0398-9836},
      address      = {London},
      publisher    = {RSC},
      reportid     = {FZJ-2021-05744},
      pages        = {13004 - 13014},
      year         = {2021},
      abstract     = {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.},
      cin          = {IEK-9},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-9-20110218},
      pnm          = {1223 - Batteries in Application (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1223},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000669874900001},
      doi          = {10.1039/D1NJ01380G},
      url          = {https://juser.fz-juelich.de/record/904174},
}