Journal
CHEMICAL ENGINEERING JOURNAL
Volume 428, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.cej.2021.132558
Keywords
Single atom; Scaling relationship; Spin; Synergy effects; Electrocatalysis
Categories
Funding
- National Natural Science Foundation-Outstanding Youth Foundation [51771162, 51971194]
- department of Education of Hebei province for Top Young Scholars Foundation [BJ2021042]
- NSF of Hebei province [2021203005, B2021203016]
- Open Funds of the State Key Laboratory of Rare Earth Resource Utilization [RERU2021007]
- China Scholarship Council
- National Science and Engineering Council
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This review summarizes the preparation strategies and characterization techniques of dual-metal sites, emphasizing the importance of theoretical modeling and simulation. It highlights the critical roles and unique traits of dual-atom sites in electrocatalysis.
Dual-metal site is more than simple double of the single atom, which has particular functionalities that help to promote electrocatalytic performance utilizing the synergistic effect. In the past few years, tremendous progress has been achieved in this field, although the research of dual-metal site is still in the developing stage. In this review, the preparation strategies and characterization techniques of dual-metal sites are summarized, which always develop hand-in-hand. Currently the main task is on the synthesis to achieve precise site-control. The reason is that the synergistic effect demands adjacent metal coupling, either in Homonuclear or heteronuclear form, yet different metal couples may exist with different local coordination configurations, i.e., (MN3)-N-I-(MN3)-N-II or (MN4)-N-I-(MN4)-N-II, posing challenges in characterization. Theoretical modeling and simulation, which are indispensable tools to elucidate the nature of atomic level catalyst, are addressed here. These techniques are essential for screening potential candidates and rationalization of reaction mechanism. Here, we focus on the critical roles of charge difference, spin polarization and the promise to break scaling relationship via providing two reaction centers, which are unique traits for dual-atom sites. Finally, perspective on future challenges and opportunities are discussed.
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