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@ARTICLE{Singh:626265,
      author       = {Singh, Ashish and Barman, Soumitra and Rahimi, Faruk Ahamed
                      and Dey, Anupam and Jena, Rohan and Kumar, Ravi and Mathew,
                      Nijita and Bhattacharyya, Dibyendu and Maji, Tapas Kumar},
      title        = {{A}tomically dispersed {C}o$^{2+}$ in a redox-active {COF}
                      for electrochemical {CO}$_2$ reduction to ethanol:
                      unravelling mechanistic insight through operando studies},
      journal      = {Energy $\&$ environmental science},
      volume       = {17},
      number       = {6},
      issn         = {1754-5692},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {PUBDB-2025-01344},
      pages        = {2315 - 2325},
      year         = {2024},
      abstract     = {Designing cheap, stable, and efficient electrocatalysts for
                      selective CO$_2$ reduction to ethanol is a green and
                      sustainable approach for converting the greenhouse gas into
                      value-added products. In this context, developing
                      single-atom-based electrocatalysts (SAEs) could be
                      advantageous because of their maximum atom utilization.
                      Here, we report the design and synthesis of a
                      donor–acceptor-based redox-active covalent organic
                      framework (COF), TAPA-OPE, obtained by condensation between
                      tris-(4-aminophenyl) amine (TAPA) and
                      oligo-(p-phenyleneethynylenes) (OPE) based dialdehyde. Owing
                      to the presence of suitable metal chelating sites, TAPA-OPE
                      was utilized for covalent grafting of atomic Co$^{2+}$
                      (Co-TAPA-OPE), which has been confirmed by EXAFS,
                      HAADF-STEM, and XPS studies. Co-TAPA-OPE acts as a stable
                      SAE for selective reduction of CO$_2$ to ethanol at −0.67
                      V vs. RHE. Faradaic efficiency (FE) for the ethanol
                      formation is calculated to be 66.8\%. The in situ XAS study
                      discloses that the single Co-site transiently changes its
                      oxidation state and coordination environment during the
                      electrocatalytic reduction process. Furthermore, an in situ
                      FTIR study is performed to track the intermediates during
                      the CO$_2$ reduction reaction (CO$_2$RR), which eventually
                      assists in elucidating a plausible reaction mechanism
                      through density functional theory (DFT).},
      cin          = {FS DOOR-User},
      ddc          = {690},
      cid          = {$I:(DE-H253)FS_DOOR-User-20241023$},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3) / INDIA-DESY - INDIA-DESY
                      Collaboration $(2020_Join2-INDIA-DESY)$},
      pid          = {G:(DE-HGF)POF4-6G3 / $G:(DE-HGF)2020_Join2-INDIA-DESY$},
      experiment   = {EXP:(DE-H253)P-P64-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001175941800001},
      doi          = {10.1039/D3EE02946H},
      url          = {https://bib-pubdb1.desy.de/record/626265},
}