Super-exchange interaction induced by neighboring bimetallic hybridization in bismuthene for hydrogen evolution reaction

• Published in: Chemical physics letters Vol. 806; p. 140012
• Main Authors: Wang, Li-Fen, Xu, Rui, Zhu, Yuan, Shi, Chuan-Guo, Shan, Yun, Li, Tinghui
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.11.2022
• Subjects: Bimetallic catalyst; Binding interaction; Charge transfer; Super-exchange interaction; Super-exchange interaction; Binding interaction; Charge transfer; Bimetallic catalyst
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/j.cplett.2022.140012

The super-exchange interaction and bonding state induced by bimetallic orbital hybridization. [Display omitted] •The super-exchange interaction between Bi-6s and dopant-3d orbitals in bismuthene is disclosed.•The orbital interaction makes partial charge transfer into half-filled dopant-3d orbitals from Bi-6s orbital.•The bonding interaction between adsorbed hydrogen and reactive sites is enhanced to improve hydrogen evolution reaction. The catalytic activity of reactive sites is strongly dependent on their electronic configuration and bonding interaction with reactants. Herein, we intentionally implant various transition metal elements into bismuthene to disclose the super-exchange interaction between Bi-6s and dopant-3d orbitals, in which the orbital interaction makes partial charge transfer into half-filled dopant-3d orbitals from Bi-6s orbital. As a result, the bonding interaction between adsorbed hydrogen and reactive sites can be enhanced obviously, which is an obvious advantage to hydrogen evolution reaction. This dual-metal-hybridized strategy provides a new insight into optimizing the electronic configuration of materials for developing new-type catalysts.