Roles of Topological Surface States and Spin-Orbit Coupling in Catalytic Activity on Topological Insulators

Hu, Xiangting1; Zhao, Changming1; Huang, Xiang1; He, Chao1; Xu, Hu1,2,3

2023-08-24

10.1103/PhysRevApplied.20.024062

PHYSICAL REVIEW APPLIED   影响因子和分区

2331-7019

Topological catalysis has attracted significant interest in both topological and catalytic research fields, but the underlying mechanism remains poorly understood, and the influence of topological surface states (TSSs) on catalytic activity has yet to be determined. Herein, we employ Bi2Se3, a prototypical topological material, to investigate the relationship between TSSs and catalytic activity. We analyze the adsorption energies of key species (e.g., H, O, and N) in heterogeneous catalysis on the Bi2Se3(111) surface by considering both the presence and absence of TSSs. Our findings reveal that TSSs have no significant impact on adsorption energy, while spin-orbit coupling (SOC) significantly affects it. Given that topological insulators and catalytic materials containing heavy elements generally exhibit strong SOC, it is crucial to consider the role of SOC in catalytic reactions.

SCI ; EI

英语

第一 ; 通讯

Science, Technology, and Innovation Commission of Shenzhen Municipality[RCYX20200714114523069] ; National Natural Science Foundation of China[11974160]

Physics

Physics, Applied

WOS:001060973200002

AMER PHYSICAL SOC

20234014828224

Bismuth compounds ; Catalysis ; Catalyst activity ; Chemical elements ; Electric insulators ; Selenium compounds ; Topological insulators ; Topology

Chemical Reactions:802.2 ; Chemical Agents and Basic Industrial Chemicals:803 ; Chemical Products Generally:804 ; Combinatorial Mathematics, Includes Graph Theory, Set Theory:921.4 ; Classical Physics; Quantum Theory; Relativity:931 ; High Energy Physics; Nuclear Physics; Plasma Physics:932

Web of Science

1.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China
2.Quantum Sci Ctr Guangdong Hong Kong, Macao Greater Bay Area, Shenzhen 518045, Guangdong, Peoples R China
3.Southern Univ Sci & Technol, Shenzhen Key Lab Adv Quantum Funct Mat & Devices, Shenzhen 518055, Peoples R China

Hu, Xiangting,Zhao, Changming,Huang, Xiang,et al. Roles of Topological Surface States and Spin-Orbit Coupling in Catalytic Activity on Topological Insulators[J]. PHYSICAL REVIEW APPLIED,2023,20(2).

Hu, Xiangting,Zhao, Changming,Huang, Xiang,He, Chao,&Xu, Hu.(2023).Roles of Topological Surface States and Spin-Orbit Coupling in Catalytic Activity on Topological Insulators.PHYSICAL REVIEW APPLIED,20(2).

Hu, Xiangting,et al."Roles of Topological Surface States and Spin-Orbit Coupling in Catalytic Activity on Topological Insulators".PHYSICAL REVIEW APPLIED 20.2(2023).