1. 稀土有机配合物反应及催化性能，国家自然科学基金重大项目，2019-2023

2. 国家千人计划第13批青年项目，2017-2020

3. 烃类分子催化转化的机制研究，国家重点研发计划，2022-2026

4. 手性配体调控机制的计算化学研究，国家自然科学基金重大项目，2022-2024

5. 催化反应机制的理论与计算化学研究，天津市杰出青年科学基金，2019-2023.

先后主持国家级科研项目6项。任国家级本科精品/一流课程《结构化学》主讲教师，主持国家教改项目2项。

1. Y. Li†, Y. Su†, H.Wang, Y. Xie, X. Wang, L. Chang, Y. Jing, J. Zhang, J.-A. Ma,H. Jin, X. Lou*, Q. Peng*,and T. Liu*, Computation-Guided Discovery of Diazole MonosubstitutedTetrazines as Optimal Bioorthogonal Tools, J.Am. Chem. Soc. 2024, 146, 26884-26896.

2. N. Jiang, P. Liu, Z. Pan, S. Wang,Q. Peng*, and L. Yin*,AsymmetricSynthesis of Trisubstituted Vicinal Diols through Copper(I)-CatalyzedDiastereoselective and Enantioselective Allylation of Ketones withSiloxypropadienes，Angew. Chem. Int. Ed. 2024, 63, e202402195.

3. Y. Yang†, J. Chen†,Y. Shi†, P. Liu, Y. Feng, Q. Peng* S. Xu*. Catalytic Enantioselective Primary C−HBorylation for Acyclic All-Carbon Quaternary Stereocenters. J. Am. Chem. Soc. 2024, 146, 1635–1643.

4. K. Chen#, H.-D. Zhu#, S. Liu,J.-H. Bai, Y.-L. Guo, K.-L. Ding*, Q.Peng*, and X.-M. Wang*. Switch in Selectivities by Dinuclear NickelCatalysis: 1,4-Hydroarylation of 1,3-Dienes to Z‑Olefins. J. Am. Chem. Soc. 2023, 145, 24877-24888.

5. Y. Zhang#, P. Du#,Y.-R. Ji, S.-Y. Wang, Y.-Q. Zhu, Z.-L. Liu, Y. He, Q. Peng*, and Z. Feng*. Catalytic cross-electrophile coupling ofaryl chlorides with unactivated alkyl chlorides: The synergy of iron and Li. Chem. 2023, 9, 3623-3636.

6. Q. Lin, S. Zheng, L. Chen, J. Wu,J. Li, P. Liu, S. Dong, X. Liu*, Q. Peng*, X. Feng*, Catalytic Regio- and Enantioselective Protonation for the Synthesis ofChiral Allenes: Synergistic Effect of the Counterion and Water, Angew. Chem.Int. Ed. 2022, 61,e202203650.

7. Y. Huang, Y. Wu, Z. Zhu, S. Zheng,Z. Ye, Q. Peng*, P. Wang*,Enantioselective Synthesis of Silicon-Stereogenic Monohydrosilanes by Rhodium-CatalyzedIntramolecular Hydrosilylation, Angew.Chem. Int. Ed. 2022, 61, e202113052.

8. B. Lu, X. Liang, J. Zhang, Z. Wang, Q.Peng*, X. Wang*, Dirhodium(II)/ XantphosCatalyzed Relay Carbene Insertion and Allylic Alkylation Process: ReactionDevelopment and Mechanistic Insights. J. Am.Chem. Soc. 2021, 143,11799-11810.

9. H.Zhang#; E. Wang#; S. Geng; Z. Liu; Y. He; Q.Peng*; Z. Feng*; Experimental and Computational Studies on the Iron‐Catalyzed Selective andControllable Defluorosilylation of Unactivated Aliphatic gem-Difluoroalkenes, Angew.Chem. Int. Ed., 2021, 60,10211-10218.

10. C. Xu#, Z. Ye#,L. Xiang, S. Yang, Q. Peng*, X. Leng, Y. Chen*, Insertion ofMetal-substituted Silylene into Naphthalene’s Aromatic Ring and SubsequentRearrangement for Silaspiro-benzocycloheptenyl and CyclobutenosilaindanDerivatives. Angew.Chem. Int. Ed.  2021,60, 3189-3195.