新能源,精细化工

(1) 新能源催化剂的理论设计
(2) 荧光材料的理论设计

[1]. Q. Q. Zhang, X. Chen, Y. Leng, C. G. Min,* F. Tan,* A. M. Ren, Theoretical study on the sensing mechanism of ESIPT-based fluorescent probe for hydrogen sulfide detection derived from 3-hydroxyflavone. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 358 (2026) 127884.
[2] H. J. Zou, Y. Leng, C. S. Yin, C. G. Min,* A. M. Ren,* X. K. Yang, F. Tan,* Synergistic effects of axial ligands on the oxygen evolution and oxygen reduction reactions catalytic performance of Cu-N-C single-atom catalysts: A density functional theory study. Colloids and Surfaces A: Physicochemical and Engineering Aspects 730 (2026) 138970.
[3] H. R. Ming, S. Y. Pu, Y. Li, C. F. Zhuang, D. Tian, C. G. Min,* X. Q. Zou,* Y. Wang,* Eucalyptus charcoal-supported single-atom Ir catalyst for hydrodeoxygenation of furfural: role of water-assisted pyrolysis. Inorganic Chemistry 65(2026) 7110−7114.
[4] X. Chen, H. Sun, Y. Leng, C. G. Min,* G. Liu,* A. M. Ren, Impact of substitution positions and solvents on ESIPT mechanisms and photophysical properties of TFAQ and its derivatives: A theory perspective. ChemistrySelect, 11(2026) e05098
[5] Y. Li, S. Y. Pu, W. Yan, H. R. Ming, Y. Wang, J. Zhao, C. G. Min3, S. Q. Liu,* C. F. Zhuang, Biochar-supported PdCo catalyst facilitates hydrogenation of bio-based furfural under mild conditions: the function of biochar support. Biochar 8 (2026) 49.
[6] Y. Pan, S. Y. Pu, Y. Wang, W. Yan, Y. Li, H. R. Ming, C. G. Min,* X. Q. Zou,* C. F. Zhuang,* Ru-based catalyst with controlled loading on CeMOF nanoislands for reductive amination of furfural to furfurylamine. Chemical Engineering Journal 527(2026) 171877.
[7] H. Sun, Y. Leng, H. B. Liu, C. G. Min,* A. M. Ren, Effect of red/green chromophores on ESIPT mechanism and fluorescent properties of 2-(2′- hydroxyphenyl)-5-phenyl-1,3,4-oxadiazole derivatives, Molecular Physics, 124 (2026) e2497053
[8] H. J. Zou, Y. Leng, C. S. Yin, X. K. Yang, C. G. Min,* F. Tan,* A. M. Ren,* Enhancing oxygen reduction reaction electrocatalytic performance of nickel-nitrogen-carbon catalysts through coordination environment engineering. Chinese Journal of Chemistry 2025, 43, 297-307.
[9] C. S. Yin, H. J. Zou, Y. Leng, X. K. Yang, C. G. Min,* F. Tan,* A. M. Ren,*Understanding of the synergetic effect of FeCoN8C dual active centers catalyst for oxygen reduction reaction and oxygen evolution reaction: A density functional theory study. Applied Surface Science 685 (2025) 162055.
[10] X. Chen, Y. Leng, H. Sun, C. G. Min,* G. A. M. Ren,* Synergetic effect of atomic electronegativity, substitution position and solvent polarity on the ESIPT process of 1-(trifluoroacetylamino)anthraquinone derivatives: a DFT study. New Journal of Chemistry 49 (2025) 17323–17334.
[11] S. Q. Wang, H. J. Zou, Y. Leng, C. G. Min,* A. M. Ren,* X. K. Yang, F. Tan,* Exploring TMN4-graphene and fullerene heterostructures (TMN4-O-C58BN) as bifunctional oxygen electrocatalysts: A computational study. Applied Surface Science 714 (2025) 164413.
[12] C. Y. Yang, Y. Wang, S. Y. Pu, W. Yan, C. K. Sun, F. P. Li, C. G. Min,* X. Q. Zou,* C. F. Zhuang,* Construction of a heterojunction via a solid−liquid integrated pyrolysis strategy for intensified hydrodeoxygenation of 5hydroxymethylfurfural toward Biofuel. ACS Sustainable Chemistry Engineering 13 (2025) 12067−12079.
[13] S. Y. Pu, H. R. Ming, X. Zhao, W. Yan, C. Y. Yang, C. F. Zhuang, C. G. Min,* X. Q. Zou,* Y. Wang,* Synthesis and catalytic properties of a highly stable rare earth cerium metal organic frameworks. Molecular Catalysis 583 (2025) 115241.
[14] H. Sun, Y. Leng, H. B. Liu, C. G. Min,* A. M. Ren, Tuning photophysical properties and ESIPT mechanism of 10-hydroxybenzo[h]quinoline by ring-annelation modification: A theoretical study. ChemistrySelect 10 (2025) e202405995
[15] S. Y. Pu, Z. X. Zhai, C. Y. Yang, Z. R. Dao, W. Yan, C. F. Zhuang,* C. G. Min, J. Zhao, Y. Wang,* Deep eutectic solvent-derived carbon-based FeNi bimetallic catalysts for selective hydrogenation of furfural. Chemical Engineering Journal 503 (2025) 158676.
[16] Y. J. Guo, Y. Leng, C. G. Min,* A. M. Ren,* Theoretically obtained insight into the origin of singlet oxygen chemiluminescence probe, SOCL. Journal of Molecular Structure 1322 (2025) 140414.

(1) 国家自然科学基金委员会, 地区科学基金项目，海莹化学发光机理及其相关pH荧光探针材料的理论研究, 2018-01-01 至 2021-12-31, 主持
(2) 云南省科技厅，面上项目，水母发光分子及其相似物在仿生有机发光二极管（OLED）中应用研究，2020-09-01 至 2023-08-31，主持
(3) 云南省科技厅，乡村振兴科技专项，2026年云南省科技特派员，2026-06-01 至2029-05-31，主持
(4) 云南省刑事科学技术重点实验室开放课题，荧光指纹图谱法在吲哚类合成DM素鉴定中应用的理论研究，2024-06-01 至2026-05-31，主持
(5) 云南省科技厅，重大科技专项子课题，催化剂的性能调控及协同提升技术，2023-01-01 至2025-12-31，参与
(6) 中央引导地方科技发展资金，氢燃料电池车用Pt/C 电催化剂技术成果转化及示范应用，2023-01-01 至2025-01-31，参与