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Superb water splitting activity of the electrocatalyst Fe3Co(PO4)4 designed with computation aid

Author

Listed:
  • Siraj Sultan

    (Ulsan National Institute of Science and Technology (UNIST))

  • Miran Ha

    (Ulsan National Institute of Science and Technology (UNIST)
    UNIST)

  • Dong Yeon Kim

    (Ulsan National Institute of Science and Technology (UNIST))

  • Jitendra N. Tiwari

    (Ulsan National Institute of Science and Technology (UNIST))

  • Chang Woo Myung

    (Ulsan National Institute of Science and Technology (UNIST))

  • Abhishek Meena

    (Ulsan National Institute of Science and Technology (UNIST))

  • Tae Joo Shin

    (UNIST)

  • Keun Hwa Chae

    (Korea Institute of Science and Technology)

  • Kwang S. Kim

    (Ulsan National Institute of Science and Technology (UNIST))

Abstract

For efficient water splitting, it is essential to develop inexpensive and super-efficient electrocatalysts for the oxygen evolution reaction (OER). Herein, we report a phosphate-based electrocatalyst [Fe3Co(PO4)4@reduced-graphene-oxide(rGO)] showing outstanding OER performance (much higher than state-of-the-art Ir/C catalysts), the design of which was aided by first-principles calculations. This electrocatalyst displays low overpotential (237 mV at high current density 100 mA cm−2 in 1 M KOH), high turnover frequency (TOF: 0.54 s−1), high Faradaic efficiency (98%), and long-term durability. Its remarkable performance is ascribed to the optimal free energy for OER at Fe sites and efficient mass/charge transfer. When a Fe3Co(PO4)4@rGO anodic electrode is integrated with a Pt/C cathodic electrode, the electrolyzer requires only 1.45 V to achieve 10 mA cm−2 for whole water splitting in 1 M KOH (1.39 V in 6 M KOH), which is much smaller than commercial Ir-C//Pt-C electrocatalysts. This cost-effective powerful oxygen production material with carbon-supporting substrates offers great promise for water splitting.

Suggested Citation

  • Siraj Sultan & Miran Ha & Dong Yeon Kim & Jitendra N. Tiwari & Chang Woo Myung & Abhishek Meena & Tae Joo Shin & Keun Hwa Chae & Kwang S. Kim, 2019. "Superb water splitting activity of the electrocatalyst Fe3Co(PO4)4 designed with computation aid," Nature Communications, Nature, vol. 10(1), pages 1-9, December.
    • Handle: RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-019-13050-3
    DOI: 10.1038/s41467-019-13050-3
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