The surface charge induced high activity of oxygen reduction reaction on the PdTe2 bilayer

Huang, Xiang1; Wang, Jiong2; Zhao, Changming1; Gan, Li-Yong3,4; Xu, Hu1,5,6

2023

10.1039/d2cp05772g

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   Impact Factor & Quartile

1463-9076

1463-9084

Developing transition metal dichalcogenides as electrocatalysts has attracted great interest due to their tunable electronic properties and good thermal stabilities. Herein, we propose a PdTe2 bilayer as a promising electrocatalyst candidate towards the oxygen reduction reaction (ORR), based on extensive investigation of the electronic properties of PdTe2 thin films as well as atomic-level reaction kinetics at explicit electrode potentials. We verify that under electrochemical reducing conditions, the electron emerging on the electrode surface is directly transferred to O-2 adsorbed on the PdTe2 bilayer, which greatly reduces the dissociation barrier of O-2, and thereby facilitates the ORR to proceed via a dissociative pathway. Moreover, the barriers of the electrochemical steps in this pathway are all found to be less than 0.1 eV at the ORR limiting potential, demonstrating fast ORR kinetics at ambient conditions. This unique mechanism offers excellent energy efficiency and four-electron selectivity for the PdTe2 bilayer, and it is identified as a promising candidate for fuel cell applications.

SCI

English

First ; Corresponding

Science, Technology, and Innovation Commission of Shenzhen Municipality["RCYX20200714114523069","ZDSYS20190902092905285"] ; National Natural Science Foundation of China[11974160] ; Guangdong Provincial Key Laboratory of Computational Science and Material Design[2019B030301001]

Chemistry ; Physics

Chemistry, Physical ; Physics, Atomic, Molecular & Chemical

WOS:000916147200001

ROYAL SOC CHEMISTRY

CHEMISTRY

Web of Science

1.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China
2.Soochow Univ, Coll Chem Chem Engn & Mat Sci, Innovat Ctr Chem Sci, Suzhou 215123, Peoples R China
3.Chongqing Univ, Inst Struct & Funct, Chongqing 400030, Peoples R China
4.Chongqing Univ, Dept Phys, Chongqing, Peoples R China
5.Southern Univ Sci & Technol, Guangdong Prov Key Lab Computat Sci & Mat Design, Shenzhen 518055, Peoples R China
6.Southern Univ Sci & Technol, Shenzhen Key Lab Adv Quantum Funct Mat & Devices, Shenzhen 518055, Peoples R China

Huang, Xiang,Wang, Jiong,Zhao, Changming,et al. The surface charge induced high activity of oxygen reduction reaction on the PdTe2 bilayer[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2023.

Huang, Xiang,Wang, Jiong,Zhao, Changming,Gan, Li-Yong,&Xu, Hu.(2023).The surface charge induced high activity of oxygen reduction reaction on the PdTe2 bilayer.PHYSICAL CHEMISTRY CHEMICAL PHYSICS.

Huang, Xiang,et al."The surface charge induced high activity of oxygen reduction reaction on the PdTe2 bilayer".PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023).