Transition Metal Arsenide Catalysts for the HydrogenEvolution Reaction

Research output: Contribution to journalJournal article – Annual report year: 2019Researchpeer-review

DOI

  • Author: Gauthier, Joseph A.

    SLAC National Accelerator Laboratory, United States

  • Author: King, Laurie A.

    SLAC National Accelerator Laboratory, United States

  • Author: Stults, Faith Tucker

    SLAC National Accelerator Laboratory, United States

  • Author: Flores, Raul A.

    SLAC National Accelerator Laboratory, United States

  • Author: Kibsgaard, Jakob

    Experimental Surface and Nanomaterials Physics, Department of Physics, Technical University of Denmark, Fysikvej, 2800, Kgs. Lyngby, Denmark

  • Author: Regmi, Yagya N.

    Lawrence Berkeley National Laboratory, United States

  • Author: Chan, Karen

    Stanford University, United States

  • Author: Jaramillo, Thomas F.

    SLAC National Accelerator Laboratory, United States

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We report, to our knowledge for the first time, a combined experimental and density functional theory (DFT) investigation into the activity and stability of cobalt, molybdenum, and copper arsenides as catalysts for the hydrogen evolution reaction (HER). We find CoAs and MoAs tobe the most active arsenide materials. We discuss the trends between calculated surface vacancy formation energies and catalyst stability. Using a simple thermodynamic model of HER activity, we find consistent trends between hydrogen binding free energy and the experimentally observed activity.
Original languageEnglish
JournalJournal of Physical Chemistry C
Volume123
Issue number39
Pages (from-to)24007-24012
Number of pages6
ISSN1932-7447
DOIs
Publication statusPublished - 2019
CitationsWeb of Science® Times Cited: No match on DOI

ID: 193800090