程世博 - 山东大学 - 化学与化工学院

个人简介

程世博，理学博士，理论化学研究所教授，博士生导师，山东省泰山学者特聘专家，山东大学齐鲁青年学者特聘教授。2005年于辽宁大学化学院应用化学专业获得学士学位，2011年于中科院大连化学物理研究所分子反应动力学国家重点实验室获物理化学专业理学博士学位，师从韩克利研究员。2011-2016年于美国宾夕法尼亚州立大学化学系从事博士后研究工作，师从美国国家科学院院士A.W. Castleman, Jr.，2016年10月起任职于山东大学化学与化工学院。结合量子化学理论计算与光谱能谱实验技术，长期从事与能源、催化、电化学相关的新型团簇设计、合成、表征及功能化的研究工作。先后在JACS,PNAS,CCS Chem.,JPCL,JMCA等国际知名学术期刊发表研究论文50余篇。曾获美国科学院Cozzarelli Prize(排名第一；2005年设奖以来在数理领域唯一排名第一的中国学者，打破了此前十余年欧美学者对这个领域奖项的垄断；2016年美国科学院年度院士大会上颁奖并介绍获奖研究工作),并被多家媒体进行了专访和专题报道。

研究领域

1）功能化团簇及团簇组装材料的理论设计、气相/凝聚相制备及其在能源、催化等的应用 2）超原子团簇及超原子团簇功能材料 3）单原子/单团簇催化的理论设计 4）电化学功能材料的理性设计与关键机制

近期论文

查看导师新发文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

L. Y. Liu, J. Li, S. Q. Liu, S. H. Du, M. Siddique, L. Zhang, Y. Bu and S. B. Cheng*, Beyond Shell-Filling: Strong Enhancement of Electron Affinity of Metal Clusters through a Noninvasive Oriented External Electric Field. J. Phys. Chem. Lett. 2024, 15, 7028-7035. H. Wang, J. Su, S. Q. Ni, J. Chen* and S. B. Cheng*, Unraveling the Solvent Regulation in the Heteroatom Doped Endohedral Gold Clusters: A Theoretical Study on the Electronic Properties and O2 Activation. J. Phys. Chem. A 2024, Accepted. X. T. Li, J. Li, S. Q. Liu, S. H. Du, S. J. Wang, J. Chen, and S. B. Cheng*, On the Dual External Field Strategy in Regulating the Superhalogen Characteristics of the Non-Noble Metal Constituted Tantalum Oxide Clusters. J. Phys. Chem. A 2024, Accepted. D. Li, J. Li, L. Y. Liu, J. Chen, and S. B. Cheng*, Ligand and Band Engineering-Induced Covalent Organic Framework-Embedded Ti32 Oxo-Cluster Gels-Based Z-Scheme Heterojunction for Boosting the Photocatalytic Degradation Performance of Tetracycline. Appl. Surf. Sci. 2024, 660, 159968. M. Sidduque, J. Su, Y. Meng, and S. B. Cheng*, Electron transfer-mediated synergistic nonlinear optical response in the Agn@C18 (n = 4-6) complexes: A DFT study on the electronic structures and optical characteristics. Spectrochim. Acta A 2024, 312, 124069. Y. Meng, T.T. Wang, J. Chen, and S. B. Cheng*, Single-atom W anchored Janus transition metal dichalcogenides as a promising catalyst for the ammonia synthesis. Appl. Surf. Sci. 2023, 640, 158470. S. Q. Liu#, D. K. Li#, J. Li#, H. Wang, Y. T. Bu, J. Su, J. Chen, and S. B. Cheng*, External-Field Regulated Superatoms. Advances in Physics: X 2023, 8, 1-23. (# equal contribution) (Invited Review). H. Wang, J. Li, J. Chen, Y. Bu, and S. B. Cheng*, Solvent field regulated superhalogen in pure and doped gold cluster anions. Chin. Chem. Lett. 2023, 34, 108222. L.J. Xue, H.B. Huang, S. Wu, X. Song, G. Lu, S. Cheng, and Y. Bu*, Symmetry-Breaking Manipulated Channel Ergodicity in Intramolecular Singlet Fission Uncovered Statistically by Molecular Dynamics Samplings. J. Chem. Theory Comput. 2023, 19, 3806-3816. H.B. Huang, L.J. Xue, G. Lu, S. Cheng, and Y. Bu*, Hydrated electrons as nodes in porous clathrate hydrates. J. Chem. Phys. 2023, 158, 114504. H.P. Ma*, F. Lin, S. Cheng, and J.D. Huang*, Quantitative Prediction of Anisotropic Carrier Mobilities for BN-Embedded Perylene Diimides in Three-Dimensional Space. J. Phys. Chem. C 2023, 127, 2524-2532. J.D. Huang, F. Lin, S. Cheng, and H.P. Ma*, Theoretical Insights into the Luminescence and Sensing Mechanisms of N,N '-Bis(salicylidene)-[2-(3 ',4 '- diaminophenyl)benzthiazole] for Copper(II). J. Phys. Chem. A 2023, 127, 966-972. H. C. Huang, T. T. Wang, J. Li, J. Chen, Y. Bu and S. B. Cheng*, A strain-engineered self-intercalation Ta9Se12 based bifunctional single atom catalyst for oxygen evolution and reduction reactions. Appl. Surf. Sci. 2022, 602, 154378. X. Zhu#, H. Huang#, H. Zhang, Y. Zhang, P. Shi, K. Qu, S. B. Cheng*, A. L. Wang*, and Q. Lu*, Filling Mesopores of Conductive Metal-Organic Frameworks with Cu Clusters for Selective Nitrate Reduction to Ammonia. ACS Appl. Mater. Interfaces 2022, 14, 32176-32182. (# equal contribution) Y. Meng, S. B. Cheng*, and Z. Wu*, Atomically dispersed non-noble Cu dimer anchored on a novel graphitic carbon nitride as a promising catalyst for the conversion of CO to CH2CH2. Appl. Surf. Sci. 2022, 597, 153761. X. X. Dong, Y. Zhao, J. Li, H. Wang, Y. Bu, and S. B. Cheng*, Dual External Field Engineered Hyperhalogen. J. Phys. Chem. Lett. 2022, 13, 3942-3948. J. Li#, M. Cui#(undergraduate), H. Yang, J. Chen, and S. B. Cheng*, Ligand-field regulated superalkali behavior of the aluminum-based clusters with distinct shell occupancy. Chin. Chem. Lett. 2022, 33, 5147-5151. (# equal contribution) Y. Jia#, J. Li#, M. Huang, L. Geng, H. Zhang, S. B. Cheng*, Y. Yi, and Z. Luo*, Ladder Oxygenation of Group VIII Metal Clusters and the Formation of Metalloxocubes M13O8+. J. Phys. Chem. Lett. 2022, 13, 733-739. (# equal contribution) Y.J. Duan, Y. Zhao, S. B. Cheng*, and Q. Wei*, On the Precise and Continuous Regulation of the Superatomic and Spectroscopic Behaviors of the Quasi-Cubic W4C4 Cluster by the Oriented External Electric Field. J. Phys. Chem. A 2022, 126, 29-35. J. Li, H. C. Huang, J. Chen, Y. Bu, and S. B. Cheng*, Organic ligand mediated evolution fro aluminum-based superalkalis to superatomic molecules and one-dimensional nanowires. Nano Res. 2022, 15, 1162-1170. S. Li, X. Lv, Q. Yang, S. Zhang, J. Su, S. B. Cheng, Y. Lai, J. Chen*, and J. Zhan*, Dynamic SPME–SERS Induced by Electric Field: Toward In Situ Monitoring of Pharmaceuticals and Personal Care Products. Anal. Chem. 2022, 94, 9270-9277. H.C. Huang, J. Li, Y. Zhao, X. X. Dong, D. K. Li, H. Wang, J. Chen, Y. Bu and S. B. Cheng*, A sandwich-like Ga2FeS4 supported single metal atom as a promising bifunctional electrocatalyst for overall water splitting. J. Mater. Chem. A 2021, 9, 18954-18603. H.C. Huang, J. Li, Y. Zhao, J. Chen, Y. Bu and S. B. Cheng*, Adsorption energy as a promising single-parameter descriptor for single atom catalysis in oxygen evolution reaction. J. Mater. Chem. A 2021, 9, 6442-6450. J.D. Huang, S. Cheng, W. Li, F. Lin, H. Ma, and B. Dong, Fluorescence enhancement mechanism of thymolphthalein-based probe by coordination interaction with zinc ion. J. Mol. Liq. 2021, 339, 116275. J. Li, J. Wang, J. Chen, Y. Bu and S. B. Cheng*, Observation of “Outlaw” Dual Aromaticity in Unexpectedly Stable Open-shell Metal Clusters Caused by Near-Degenerate Molecular Orbital Coupling. CCS Chemistry 2020, 2, 1913-1920. H. C. Huang, Y. Zhao, J. Wang, J. Li, J. Chen, Q. Fu, Y. Bu and S. B. Cheng*, Rational design of an efficient descriptor for single-atom catalysts in the hydrogen evolution reaction. J. Mater. Chem. A 2020, 8, 9202-9208. H. C. Huang, J. Wang, J. Li, Y. Zhao, X. X. Dong, J. Chen, G. Lu, Y. Bu and S. B. Cheng*, Surface Modification Strategy for Promoting the Performance of Non-noble Metal Single-Atom Catalysts in Low-Temperature CO oxidation. ACS Appl. Mater. Interfaces, 2020, 12, 19457-19466. Y. Zhao, J. Wang, H. C. Huang, J. Li, X. X. Dong, J. Chen. Y. Bu and S. B. Cheng*, Tuning the Electronic Properties and Performance of Low-Temperature CO Oxidation of the Gold Cluster by Oriented External Electronic Field. J. Phys. Chem. Lett. 2020, 11, 1093-1099. J. Chen, H. Yang, J. Wang and S. B. Cheng*, Revealing the effect of the oriented external electronic field on the superatom-polymeric Zr3O3 cluster: superhalogen modulation and spectroscopic characteristics. Spectrochim. Acta A 2020, 237, 118400. J. Wang, J. Chen, Q. Wei, and S. B. Cheng*, On the dual aromaticity and external field induced superhalogen modulation of the AuSc2 cluster: A computational study. Chem. Phys. Lett. 2020, 754, 137767. J. Li, Y. Zhao, Y. F. Bu(undergraduate), J. Chen, Q. Wei and S. B. Cheng*, On the theoretical construction of Nb2N2-based superatoms by external field strategies. Chem. Phys. Lett. 2020, 754, 137709. . Zhao, J. Chen, H. Yang, Q. Wei* and S. B. Cheng*, A density functional theory calculation on the geometrical structures and electronic properties of Ag19 under the oriented external electric field. Chem. Phys. Lett. 2020, 754, 137703. J. Chen, Q. Wei, H. Yang, and S. B. Cheng*, On the structures, electronic properties, and superhalogen regulation of the MnB6− clu6ster: A density functional theory investigation. Chem. Phys. Lett. 2020, 754, 137723. L. Xue, X. Song, Y. Feng, S. Cheng, G. Lu, and Y. Bu*, General Dual-Switched Dynamic Singlet Fission Channels in Solvents Governed Jointly by Chromophore Structural Dynamics and Solvent Impact: Singlet Prefission Energetics Analyses. J. Am. Chem. Soc. 2020, 142, 17469-17479. H. Zhang, H. Huang, L. Gao, Q. Fu, S. B. Cheng and Y. Bu*, Magnetic Dioxygen Clathrate Hydrates: A Type of Promising Building Blocks for Icy Crystalline Materials. J. Phys. Chem. C 2020, 124, 10669-10678. Y. Song, H. C. Huang, W, Lu, N. Li, J. Su, S. B. Cheng, Y. Lai*, J. Chen*, J. Zhan, Ag@WS2 quantum dots for Surface Enhanced Raman Spectroscopy: Enhanced charge transfer induced highly sensitive detection of thiram from honey and beverages. Food Chemistry 2020, 128570. N. Li, R. Li, Y. Song, L. Ma, C. Gao, L. Li, S. B. Cheng, X. Zhang, J. Chen* and J. Zhan*, Caramelized carbonaceous shell-coated γ-Fe2O3 as a magnetic solid-phase extraction sorbent for LC-MS/MS analysis of triphenylmethane dyes. Microchimica Acta 2020, 187, 371.