Sultan, Siraj Ha, Miran Kim, Dong Yeon Tiwari, Jitendra N. Myung, Chang Woo Meena, Abhishek Shin, Tae Joo Chae, Keun Hwa Kim, Kwang S. 2024-01-19T19:01:19Z 2024-01-19T19:01:19Z 2021-09-05 2019-11 2041-1723 https://pubs.kist.re.kr/handle/201004/119395 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 1M 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 1M 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. English Nature Publishing Group Superb water splitting activity of the electrocatalyst Fe3Co(PO4)(4) designed with computation aid Article 10.1038/s41467-019-13050-3 1 Nature Communications, v.10 Nature Communications 10 Y scie scopus 000496713200008 2-s2.0-85075071973 Multidisciplinary Sciences Science & Technology - Other Topics Article OXYGEN EVOLUTION BIFUNCTIONAL ELECTROCATALYST EFFICIENT OXIDATION OXIDE PHOSPHATE CATALYSTS GRAPHENE water splitting electrocatalyst first-principles calculations oxygen evolution reaction