Dunyou Wang

21PUBLICATIONS
5CO-AUTHORS
Main group metal chemistryCatalysis and mechanisms of reactionsMetal cluster chemistryCondensed matter modelling and density functional theoryTheoretical quantum chemistry
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (21)

|Aug 13, 2026
Beyond d-Band Models: Unoccupied Valence Band Ratio Governs CO Oxidation on BiCuSeO-Supported Single-Atom Catalysts.

|Nov 20, 2025
Mechanistic Insights and Solvent Effects for the Ambident SCN- + CH3Cl Reaction in Aqueous Solution: A Multilevel QM/MM Study.

Nan Wang, Yilin Cheng, Chen Li

|Jul 29, 2025
Ultralow-Barrier CO Oxidation on Bi2O2S-Supported Single-Atom Catalysts: Mechanistic Insights and Electronic Descriptors.

Xingchen Jin, Ruoqi Zhang, Delu Gao

|Jul 21, 2025
CO Oxidation on Single Transition Metal Atoms Supported on 2D ZnO: Role of Antibonding-State Center Shifts in Catalytic Efficiency.

Delu Gao, Ruoqi Zhang, Dunyou Wang

|Dec 09, 2024
Potentials of Mean Force and Solvent Effects of the CN- + CH3X (X = F, Cl, Br, and I) Reactions by the N-Side Attack in Aqueous Solution.

Yanzhen Zhu, Yixuan Li, Dunyou Wang

|Jan 30, 2024
Theoretical study of NH3 , H2 S, and HCN adsorption enhancement on defective graphene-supported Cu19 clusters.

Naigui Liu, Delu Gao, Dunyou Wang

Pageof 4

Frequent Collaborators

1 joint publications

Ying Zeng

1 joint publications

Mingcheng Yang

1 joint publications

Yuping Wang

1 joint publications

Ruishan Tan