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@ARTICLE{Malek:890423,
      author       = {Malek, Ali and Baumann, Stefan and Guillon, Olivier and
                      Eikerling, Michael and Malek, Kourosh},
      title        = {{A} {D}ata-driven {F}ramework for the {A}ccelerated
                      {D}iscovery of {CO}2 {R}eduction {E}lectrocatalysts},
      journal      = {Frontiers in energy research},
      volume       = {9},
      issn         = {2296-598X},
      address      = {Lausanne},
      publisher    = {Frontiers Media},
      reportid     = {FZJ-2021-00943},
      pages        = {609070},
      year         = {2021},
      abstract     = {Searching for next-generation electrocatalyst materials for
                      electrochemical energy technologies is a time-consuming and
                      expensive process, even if it is enabled by high-throughput
                      experimentation and extensive first-principle calculations.
                      In particular, the development of more active, selective and
                      stable electrocatalysts for the CO2 reduction reaction
                      remains tedious and challenging. Here, we introduce a
                      material recommendation and screening framework, and
                      demonstrate its capabilities for certain classes of
                      electrocatalyst materials for low or high-temperature CO2
                      reduction. The framework utilizes high-level technical
                      targets, advanced data extraction, and categorization paths,
                      and it recommends the most viable materials identified using
                      data analytics and property-matching algorithms. Results
                      reveal relevant correlations that govern catalyst
                      performance under low and high-temperature conditions.},
      cin          = {IEK-13 / IEK-1 / JARA-ENERGY},
      ddc          = {333.7},
      cid          = {I:(DE-Juel1)IEK-13-20190226 / I:(DE-Juel1)IEK-1-20101013 /
                      $I:(DE-82)080011_20140620$},
      pnm          = {123 - Chemische Energieträger (POF4-123)},
      pid          = {G:(DE-HGF)POF4-123},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000644398900001},
      doi          = {10.3389/fenrg.2021.609070},
      url          = {https://juser.fz-juelich.de/record/890423},
}