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How 3d Transition Metal Elements Determine the Oxygen Evolution Activity in Ni(OH) 2 Matrix

39 Pages Posted: 5 Dec 2019 Sneak Peek Status: Review Complete

See all articles by Yuhai Dou

Yuhai Dou

Griffith University - Centre for Clean Environment and Energy

Chun-Ting He

Jiangxi Normal University - MOE Key Laboratory of Functional Small Organic Molecule

Lei Zhang

Griffith University - Centre for Clean Environment and Energy

Mohammad Al-Mamun

Griffith University - Centre for Clean Environment and Energy

Haipeng Guo

University of Wollongong - Institute for Superconducting and Electronic Materials

Wenchao Zhang

University of Wollongong - Institute for Superconducting and Electronic Materials

Qingbing Xia

University of Wollongong - Institute for Superconducting and Electronic Materials

Jiantie Xu

South China University of Technology - Guangdong Provincial Key Laboratory of Atmospheric Environment and Pollution Control

Lixue Jiang

Griffith University - Centre for Clean Environment and Energy

Yun Wang

Griffith University - Centre for Clean Environment and Energy

Porun Liu

Griffith University - Centre for Clean Environment and Energy

Xiao-Ming Chen

Sun Yat-Sen University (SYSU) - MOE Key Laboratory of Bioinorganic and Synthetic Chemistry

Huajie Yin

Griffith University - Centre for Clean Environment and Energy

Huijun Zhao

Griffith University - Centre for Clean Environment and Energy

More...

Abstract

3d transition metals have been investigated as active centers in Ni(OH)2 to catalyze oxygen evolution reaction (OER), while conflicts of mechanism still exist. Herein, we studied how Ni, Co and Fe determine the OER activity in atomically thin Ni(OH)2 via experiments and theoretical calculations. The results show that both Co and Fe, with enhanced density of states near the Fermi level, decrease the overpotential by increasing the binding energy of O* and consequently exhibit higher catalytic activities than Ni. In particular, Fe, with nearly optimal O* binding energy, exhibits the lowest overpotential of 181 mV to reach 50 mA cm-2. In the case of CoFe co-doping, Co alters the electronic states of Fe, which weakens the Fe-OOH bond and slightly increases the overpotential. Based on the calculated activities, an overpotential contour plot is constructed, providing guidance for rational catalyst design via modulating electronic structures and intermediate binding energies.

Keywords: transition metal, doping, atomically thin, oxygen evolution reaction, catalysis

Suggested Citation

Dou, Yuhai and He, Chun-Ting and Zhang, Lei and Al-Mamun, Mohammad and Guo, Haipeng and Zhang, Wenchao and Xia, Qingbing and Xu, Jiantie and Jiang, Lixue and Wang, Yun and Liu, Porun and Chen, Xiao-Ming and Yin, Huajie and Zhao, Huijun, How 3d Transition Metal Elements Determine the Oxygen Evolution Activity in Ni(OH) 2 Matrix (December 3, 2019). CR-PHYS-SCI-D-19-00035. Available at SSRN: https://ssrn.com/abstract=3497024 or http://dx.doi.org/10.2139/ssrn.3497024
This is a paper under consideration at Cell Press and has not been peer-reviewed.

Yuhai Dou

Griffith University - Centre for Clean Environment and Energy

Queensland
Australia

Chun-Ting He

Jiangxi Normal University - MOE Key Laboratory of Functional Small Organic Molecule ( email )

China

Lei Zhang

Griffith University - Centre for Clean Environment and Energy ( email )

Queensland
Australia

Mohammad Al-Mamun

Griffith University - Centre for Clean Environment and Energy

Queensland
Australia

Haipeng Guo

University of Wollongong - Institute for Superconducting and Electronic Materials ( email )

Wollongong, New South Wales 2522
Australia

Wenchao Zhang

University of Wollongong - Institute for Superconducting and Electronic Materials

Wollongong, New South Wales 2522
Australia

Qingbing Xia

University of Wollongong - Institute for Superconducting and Electronic Materials ( email )

Wollongong, New South Wales 2522
Australia

Jiantie Xu

South China University of Technology - Guangdong Provincial Key Laboratory of Atmospheric Environment and Pollution Control ( email )

China

Lixue Jiang

Griffith University - Centre for Clean Environment and Energy ( email )

Queensland
Australia

Yun Wang

Griffith University - Centre for Clean Environment and Energy

Queensland
Australia

Porun Liu

Griffith University - Centre for Clean Environment and Energy ( email )

Queensland
Australia

Xiao-Ming Chen

Sun Yat-Sen University (SYSU) - MOE Key Laboratory of Bioinorganic and Synthetic Chemistry ( email )

China

Huajie Yin

Griffith University - Centre for Clean Environment and Energy ( email )

Queensland
Australia

Huijun Zhao (Contact Author)

Griffith University - Centre for Clean Environment and Energy ( email )

Queensland
Australia

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