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

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.

SUBMITTER: Sultan S 

PROVIDER: S-EPMC6858335 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature

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Superb water splitting activity of the electrocatalyst Fe<sub>3</sub>Co(PO<sub>4</sub>)<sub>4</sub> designed with computation aid.

Sultan Siraj S   Ha Miran M   Kim Dong Yeon DY   Tiwari Jitendra N JN   Myung Chang Woo CW   Meena Abhishek A   Shin Tae Joo TJ   Chae Keun Hwa KH   Kim Kwang S KS  

Nature communications 20191115 1

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 [Fe<sub>3</sub>Co(PO<sub>4</sub>)<sub>4</sub>@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 d  ...[more]

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