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

Jia, Zhichao1; Yuan, Yang1; Zhang, Yanxing2; Lyu, Xiang3; Liu, Chenhong1; Yang, Xiaoli1; Bai, Zhengyu1,5; Wang, Haijiang4; Yang, Lin1,5

2023-08-29

10.1002/cey2.418

CARBON ENERGY   影响因子和分区

2637-9368

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.

electrocatalyst in situ Raman Mo-doped CoOOH oxygen evolution reaction

SCI ; EI

英语

其他

The National Natural Science Foundation of China (Grant Nos. 52072114 and 51922008), the 111 Project (Grant No. D17007), the Henan Center for Outstanding Overseas Scientists (Grant No. GZS2018003), Xinxiang Major Science and Technology Projects (Grant No.["51922008","D17007"] ; National Natural Science Foundation of China[GZS2018003] ; 111 Project[21ZD001] ; Henan Center for Outstanding Overseas Scientists[2016ZT06N500] ; Xinxiang Major Science and Technology Projects[2018B030322001] ; null[52072114]

Chemistry ; Energy & Fuels ; Science & Technology - Other Topics ; Materials Science

Chemistry, Physical ; Energy & Fuels ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary

WOS:001058773600001

WILEY

20233514648941

Carbon ; Density functional theory ; Foams ; Iridium compounds ; Molybdenum ; Oxygen ; Spin polarization

Molybdenum and Alloys:543.3 ; Chemical Agents and Basic Industrial Chemicals:803 ; Chemical Products Generally:804 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4 ; High Energy Physics:932.1

Web of Science

1.Henan Normal Univ, Collaborat Innovat Ctr Henan Prov Green Mfg Fine C, Sch Chem & Chem Engn, Key Lab Green Chem Media & React,Minist Educ, Xinxiang, Henan, Peoples R China
2.Henan Normal Univ, Sch Phys, Xinxiang, Henan, Peoples R China
3.Oak Ridge Natl Lab, Electrificat & Energy Infrastruct Div, Oak Ridge, TN USA
4.Southern Univ Sci & Technol, Dept Mech & Energy Engn, Key Lab Energy Convers & Storage Technol, Shenzhen, Guangdong, Peoples R China
5.Henan Normal Univ, Collaborat Innovat Ctr Henan Prov Green Mfg Fine C, Sch Chem & Chem Engn, Key Lab Green Chem Media & React,Minist Educ, Xinxiang 453007, Henan, Peoples R China

Jia, Zhichao,Yuan, Yang,Zhang, Yanxing,et al. Optimizing 3d spin polarization of CoOOH by in situ Mo doping for efficient oxygen evolution reaction[J]. CARBON ENERGY,2023.

Jia, Zhichao.,Yuan, Yang.,Zhang, Yanxing.,Lyu, Xiang.,Liu, Chenhong.,...&Yang, Lin.(2023).Optimizing 3d spin polarization of CoOOH by in situ Mo doping for efficient oxygen evolution reaction.CARBON ENERGY.

Jia, Zhichao,et al."Optimizing 3d spin polarization of CoOOH by in situ Mo doping for efficient oxygen evolution reaction".CARBON ENERGY (2023).