Optimizing 3d spin polarization of CoOOH by in situ Mo doping for efficient oxygen evolution reaction

Jia, Zhichao; Yuan, Yang; Zhang, Yanxing; Lyu, Xiang; Liu, Chenhong; Yang, Xiaoli; Bai, Zhengyu; Wang, Haijiang; Yang, Lin

doi:10.1002/cey2.418

Title: Optimizing 3d spin polarization of CoOOH by in situ Mo doping for efficient oxygen evolution reaction

Journal Article · Tue Aug 29 00:00:00 UTC 2023 · Carbon Energy

DOI: https://doi.org/10.1002/cey2.418 · OSTI ID:2311261

Jia, Zhichao ^[1]; Yuan, Yang ^[1]; Zhang, Yanxing ^[1]; Lyu, Xiang ^[2]; Liu, Chenhong ^[1]; Yang, Xiaoli ^[1];

^[1]; Wang, Haijiang ^[3];

^[1]

Henan Normal Univ., Xinxiang (China)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Southern University of Science and Technology (SUSTech), Shenzhen (China)

Transition-metal oxyhydroxides are attractive catalysts for oxygen evolution reactions (OERs). Further studies for developing transition-metal oxyhydroxide catalysts and understanding their catalytic mechanisms will benefit their quick transition to the next catalysts. Herein, Mo-doped CoOOH was designed as a high-performance model electrocatalyst with durability for 20 h at 10 mA cm^-2. Additionally, it had an overpotential of 260 mV (glassy carbon) or 215 mV (nickel foam), which was 78 mV lower than that of IrO₂ (338 mV). In situ, Raman spectroscopy revealed the transformation process of CoOOH. Calculations using the density functional theory showed that during OER, doped Mo increased the spin-up density of states and shrank the spin-down bandgap of the 3d orbits in the reconstructed CoOOH under the electrochemical activation process, which simultaneously optimized the adsorption and electron conduction of oxygen-related intermediates on Co sites and lowered the OER overpotentials. Our research provides new insights into the methodical planning of the creation of transition-metal oxyhydroxide OER catalysts.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2311261

Journal Information:: Carbon Energy, Journal Name: Carbon Energy Journal Issue: 1 Vol. 6; ISSN 2637-9368

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Mo‐doped CoOOH
electrocatalyst
in situ Raman
oxygen evolution reaction

Title: Optimizing 3d spin polarization of CoOOH by in situ Mo doping for efficient oxygen evolution reaction

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