Creating Dual Active Sites in Conductive Metal‐Organic Frameworks for Efficient Water Splitting

Author:

He Yuqian1,Yan Feng1,Zhang Xiao1,Zhu Chunling2,Zhao Yingying1,Geng Bo2,Chou Shulei3ORCID,Xie Ying4,Chen Yujin12ORCID

Affiliation:

1. Key Laboratory of In‐Fiber Integrated Optics College of Physics and Optoelectronic Engineering Harbin Engineering University Harbin 150001 P. R. China

2. Laboratory of Superlight Materials and Surface Technology Ministry of Education College of Chemistry and Chemical Engineering Harbin Engineering University Harbin 150001 P. R. China

3. Institute for Carbon Neutralization College of Chemistry and Materials Engineering Wenzhou University Wenzhou 325035 P. R. China

4. Key Laboratory of Functional Inorganic Material Chemistry Ministry of Education School of Chemistry and Materials Science Heilongjiang University Harbin 150080 P. R. China

Abstract

AbstractThe achievement of bifunctional metal‐organic frameworks (MOFs) remains a huge challenge due to their lack of dual active sites. Herein, dual sites in the Co‐catecholate (Co‐CAT) are created through Ru, Ir, or Rh doping for overall water splitting. Among them, RuCo‐CAT exhibits excellent bifunctional activities, outperforming benchmarked Pt/C for the hydrogen evolution reaction (HER) and RuO2 for the oxygen evolution reaction (OER). The theoretical calculations demonstrate that the doped Ru atoms with optimal absorption energy for the hydrogen intermediate and the Co centers with a reduced energy barrier for the rate‐determining step are the active sites for HER and OER, respectively. Furthermore, the incorporation of Ru atoms can improve the electrical conductivity and capacity of water adsorption of Co‐CAT greatly, synergistically improving the bifunctional activity. This strategy for engineering dual active sites offers novel insights into designing bifunctional MOFs for overall water splitting.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

Publisher

Wiley

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment

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