Introduction
Associate Professor 2009-present College of Chemistry Beijing University of Chemical Technology (BUCT), P. R. China Visiting scholar 2015.12-2017.1 Stanford University Lecturer 2005-2008 School of Science Beijing University of Chemical Technology (BUCT), P. R. China Ph.D. in AppliedChemistry 2005 Beijing Institute of Technology(BIT), P. R. China B.S. in Chemical Engineering and Technology 1996 Beijing Institute of Technology(BIT), P. R. China
Research
Li Yaping graduated from Beijing Institute of Technology in March 2005 and currently works at the School of Chemistry, Beijing University of Chemical Technology. From 2015 to 2016, he studied as a visiting scholar at Stanford University. Mainly engaged in theoretical simulation and research of transition metal electrocatalytic performance and fuel cells. Currently participating in two national key research and development programs. He was once responsible for one National Natural Science Foundation, one special project of the Fundamental Research Funds of the Central Universities, one Youth Fund of Beijing University of Chemical Technology, one national key research and development program, two national natural funds, one special project of the Fundamental Research Funds of the Central Universities, one open project and one independent project of the State Key Laboratory (effective utilization of chemical resources), and one special research fund of the Ministry of Education's doctoral program. In 2013, he/she was awarded the Beijing Youth Excellent Talent Program and the first prize for scientific and technological progress by the China Petroleum and Chemical Federation. In May 2011, he/she won the Excellent Award in the 7th Beijing University of Chemical Technology Youth Teacher Basic Skills Competition. In October 2005, he/she won the first prize for the 8th Beijing Youth Excellent Scientific and Technological Paper. Currently, more than 50 papers have been published in SCI indexed journals both domestically and internationally, mainly including JACS, Angew, Nanoscale, J. Catal. Scinece China Materials., Mol. Catal., J. Chem. Phys., Chem. Phys. Lett., Phys. Rev. E., Phys. Lett. A and so on.
Recently, main research field: Mainly engaged in theoretical simulation, simulation, calculation, and research on the electrocatalytic performance of transition metals and their oxides. At present, it is mainly reflected in the theoretical calculation and simulation of electrolysis (sea) water, oxygen reduction, and carbon dioxide reduction.
Teaching
Undergraduate Course：Computational Chemistry，Application Software Practice，Structural chemistry，Basic Chemistry，Chemistry and Modern Technology，Physical Chemistry Experiment.
Graduate courses：Computational Materials Chemistry，Quantum chemistry
Funding
1. Key technology research and equipment integration application of megawatt level anti fluctuation direct electrolysis of seawater for hydrogen production, National Key R&D Program, 2023.12-2026.11：2023YFB4005101 2. Research on high stability anion exchange membrane electrolysis of water based on high-yield element catalysts, National Key R&D Program, 2022.12-2027.11：2022YFA1504000. 3. In situ observation, simulation, and controllable preparation and device integration of high-performance membrane electrodes for three-phase reaction interfaces in fuel cells, Beijing Natural Science Foundation (Key Research Topic): 2021.8-2025.8:Z210016. 4. Structural design and controllable technology preparation of electrolytic water catalyst, National Key R&D Program, 2019.4-2022.3:2018YFB502401. 5. First principles periodic DFT calculation: Study on the mechanism of oxygen evolution reaction in MIIMIII-LDHs (M=Fe, Co, Ni, Al), provincial, municipal, and autonomous region science and technology project,2013.11-2015.12:YETP0510. 6. Efficient Utilization and Replacement of Gold and Silver Nanocatalysts, 973 Program, Project Duration: 2013.1-2015.12. 7. Application Technology of Special Separation Membrane for Industrial Processes, Ministry of Science and Technology of China, 2012.1-2014.12. 8. Simulation study on the complex kinetic behavior of Cu-ZSM-5 catalytic decomposition of N2O in mesoscopic chemical reaction system, National Natural Science Foundation of China project, 2012.1-2014.12. 9. Development of high-frequency/high-voltage pulse AC power supply system, other research projects, 2024.5-2025.7.
10. Implementation license for five patents including a molybdenum disulfide nanosheet thin film material and its preparation method, without relying on project research results,July 22, 2020.7-2022.7. 11. Bubble rolling angle tester and nitrogen doped carbon coated graphene oxide two-dimensional porous composite material and its preparation method, self selected topic,2019.5-2021.5. 12. Based on the development of nano clay series products in the application field, enterprises and institutions commissioned technology projects, project time: 2016.8-2019.8. 13. Research on technical standards for analysis and comprehensive evaluation of internal products in pipelines, commissioned by enterprises and institutions as a technology project,2014.12-2016.12. 14. Upgrade of corrosion monitoring equipment in Dazhangtuo gas storage facility, 2013.9-2014.12.
Publications
1. | J. Cheng, W. Liu, S. Chen, Y. Zhang, A. Cao, Y. Zhang, Z. Shen, Y. Yang, Y. Zhang, Y. Li,* D. Zhou*, X. Sun*. Fluoride-Engineered Electrolyte for Highly Stable and Efficient Alkaline Seawater Electrolysis at 2 A cm−2. Angew. Chem. Inter. Ed., 2025, e18106. https://doi.org/10.1002/anie.202518106. | 2. | Y. Liu, A. Cao, B. Li, K. Wang, S. Chen, H. Xin, Y. Kuang, Y. Li,* D. Zhou*, X. Sun*. Ge-Doped RuO2 for Stable and Active Acidic Oxygen Evolution Reaction. Small, 2025, e08783. https://doi.org/10.1002/smll.202508783. | 3. | J. Cheng, A. Cao , H. Sun , W. Xu , Y. Zhang , D. Zhou , Y. Li *, First-principles study of tungstate adsorption on NiFe layered double hydroxides for chlorine-repelling in seawater electrolysis, Molecular Catalysis 584 (2025),115239. | 4. | B. Ding, Z. Jiang, X. Guo, S. Wen, K. Wang, S. Li, Y. Yang, Q. Sha, B. Li, L. Luo, Z. Dan*, Y. Li* and X. Sun*, Formation of electron-deficient Ni in a Nb/NiFe-layered double hydroxide nanoarray via electrochemical activation for efficient water oxidation,Nanoscale, 2025, 17, 7825–7829. | 5. | H. Ding, M. Cheng, N. Wang, J. Cheng, B. Li, A. Cao, Z. Gu, X. Ma, J. Wu, Y. Liu, Y. Lyu, Y. Mei, M. Ma, M. Zhang, H. Xin, Y. Kuang, Y. Li,* D. Zhou * and X. Sun, Ta-doped NiFe layered double hydroxide for efficient alkaline water oxidation at ampere-level current with 2000 h durability, Nanoscale, 2025, 17, 21516–21522. | 6. | Z. Jiang, W. Liu, M. Hussain, H. Sun, Y. Kuang, Y. Li,* W. Liu,* D. Zhou,* and X. Sun, Ir-Co3S4/CoOxHy Heterojunction Enables Efffcient Alkaline Oxygen Evolution through Binuclear Ir−Co Active Sites, ACS Sustainable Chem. Eng.2025, 13, 9445−9454. | 7. | M. Ma, A. Cao, H. Liu, H. Xin, Y. Kuang, Z. Chang,* Y. Li,* D. Zhou,* and X. Sun, Interfacial Hydrogen-Bonding Network and Active-Site Electronic Structure Modulation via Indium Doping in RuO2 for Efffcient and Durable OER,ACS Appl. Mater. Interfaces 2025, 17, 58233−58242. | 8. | H. Sun , L. Gao , Y. Li , Q. Xu , Y. Li * , W. Liu *, Screening of single-atomic catalysts loaded on two-dimensional transition metal dichalcogenides for electrocatalytic oxygen reduction via high throughput ab initio calculations, Journal of Colloid and Interface Science 684 (2025) 251–261. | 9. | Y. Zhang , A. Cao , W. Xu , H. Sun , Z. Jiang , J. Cheng , F. Wang * , Y Li * , X. Sun *, First-principles study of oxygen evolution reaction on CeNi-doping Co3O4(110), Mol. Catal. 576 (2025) 114921. | 10. | S. Chen, H. Liu, B. Yuan, W. Xu, A. Cao, M. Getaye Sendeku, Y. Li, * X. Sun * and F.Wang *, Bi-doped ruthenium oxide nanocrystal for water oxidation in acidic media, Nanoscale, 2024, 16, 20940–20947. | 11. | H. Liu, Z. Zhang, M. Li, Y. Li,* Y. Kuang and X. Sun*, Ru-doped WO3 enabling efficient hydrogen oxidation reaction in alkaline media, Nanoscale, 2023,15, 12064-12070 | 12. | J. Jing, W. Liu *, T. Li, X. Ding, W. Xu, M. Ma, D. Zhou, Y. Li *, X. Sun. One-Step Synthesis of Ultrathin High-Entropy Layered Double Hydroxides for Ampere-Level Water Oxidation, Catalysts, 2024, 14, 171. | 13. | A. Cao , W. Xu , H. Sun , Z. Jiang , F. Wang , Y. Li,* and X. Sun*, The oxygen path mechanism from Ni-OOOO-Fe species in oxygen evolution reaction on NiFe layered double hydroxides, Mol. Catal. 555 (2024) 113864 . | 14. | Z. Jiang, W. Xu, Y. Li,* X. Sun. Efficient OER catalysis on Ir-doped Co3O4: Understanding Double and Quadruple Oxygen Coupling Mechanisms on Bimetallic sites. Catal. Lett. (2024) 154:4065-4077. | 15. | Y. Zhang, W. Xu, A. Kumar, H. Sun, A. Cao, Z. Zhang, Z. Jiang, Z. Yang*, J. Dong* , Y. Li*, CO2 reduction performance of Cu/Er supported on N-doped graphene: A first principles study, Mol. Catal. 547 (2023) 113335. | 16. | Z. Zhang, G. Tan, A. Kumar, H. Liu, X.Yang, W. Gao, L. Bai, H. Chang, Y. Kuang, Y. Li*, X. Sun, First-principles study of oxygen evolution on Co3O4 with short-range ordered Ir doping, Mol. Catal. 535 (2023) 112852. | 17. | W. Xu, Z. Zhang, H. Sun, Y. Zhang, A. Kumar, Y. Kuang, Y. Li*, First Principles Study of Oxygen Evolution Reaction on Ir with Diferent Coordination Numbers Anchoring at Specifc Sites of Co3O4 (111) Surface, Catal. Lett. 154（2024）2488-2502. | 18. | X. Yang, J. Chen, G. Tan, Y. Zhang, Z. Zhang, Z. Yang, W. Liu, Y. Li*, A density functional theory study of catalytic oxygen reduction reaction on Co-CoO(111), Mol. Catal. 530 (2022) 112569. | 19. | G. Tan, X. Zhao, Z. Zhang, X. Yang , J. Chen , L. Xu , Y. Li * , Y. Kuang*, First-principles study of the oxygen evolution reaction on Ni3Fe-layered double hydroxides surfaces with varying sulfur coverage, Molecular Catalysis 519 (2022) 112116. | 20. | X. Gao, Y. Li, J. Chen, X. Yang, Z. Zhang, Z. Chang, Y. Li*, First-principles study of N2O decomposition on (001) facet of perovskite LaBO3 (B = Mn, Co, Ni), Mol. Catal. , 2021,510,111713-1-8. | 21. | J. Ma, Y. Zhong, S. Zhang, Y. Huang, L. Zhang*, Y. Li*, X. Sun, Z. Xia*, Design and Theoretical Calculation of Heteroatoms Doped Graphdiyne Towards Efficiently Catalyzing Oxygen Reduction and Evolution Reactions, Chemical Journal of Chinese Universities, 2021, 42(2), 624-632. | 22. | X. Zhao , X. Xiong, X. Duan , Y. Xu, Y. Li*.First-principles study of oxygen evolution reaction on Ni3Fe-layered double hydroxides surface with different oxygen coverage, Mol. Catal. 2020, 490, 110957-1-7. | 23. | P. Li, X.Zhao, X. Duan, Y. Li* , Y. Kuang* and X.Sun*, A multiphase nickel iron sulfide hybrid electrode for highly active oxygen evolution, Science China Materials, 2020, 63(3), 356-363. | 24. | X. Xiong, Y. Li, Y. Jia, Y. Meng, K. Sun, L. Zheng, G. Zhang, Y. Li* and X. Sun*,Ultrathin atomic Mn-decorated formamide-converted N-doped carbon for efficient oxygen reduction reaction. Nanoscale, 2019, 11(34),15900-15906. | 25. | X. Xiong, Z. Cai, D. Zhou, G. Zhang, Q. Zhang, Y. Jia, X. Duan, Q. Xie, S. Lai, T. Xie, Y.Li*, X. Sun* and X. Duan，A highly-efficient oxygen evolution electrode based on defective nickel-iron layered double hydroxide, Science China Materials, 2018, 61(7), 939-947. | 26. | Y. Bi, Z. Cai, D. Zhou, Y. Tian, Q. Zhang(m) , Q. Zhang(f) , Y. Kuang,Y. Li*, X. Sun*, and X. Duan, Understanding the incorporating effect of Co2+/Co3+ in NiFe-layered double hydroxide for electrocatalytic oxygen evolution reaction，J. Catal. 2018, 358, 100-107. | 27. | B. Qin, Y. Tian, P. Zhang, Z. Yang, G. Zhang, Z. Cai, Y. Li*, A Density Functional Theory Study of the Oxygen Reduction Reaction on the (111) and (100) Surfaces of CoO, Prog React Kinet Mec. 2019, 44(2), 122-131. | 28. | P. Zhang, Y. Dong, Y. Kou, Z. Yang, Y. Li*, X. Sun, First-Principles Study of Oxygen Evolution Reaction on the Oxygen-Containing Species Covered CoII-Exposing Co3O4 (100) Surface. Catal. Lett. 2015, 145, 1169-1176. | 29. | Y. Dong, P. Zhang, Y, Kou, Z. Yang, Y. Li*,X. Sun, A First-Principles Study of Oxygen Formation Over NiFe-Layered Double Hydroxides Surface, Catal. Lett.2015, 145, 1541-1548. | 30. | X. Liu, Z. Yang, Y. Li*, F. Zhang, Theoretical study of N2O decomposition mechanism over binuclearCu-ZSM-5 zeolites, J. Mol. Catal. A 2015, 396: 181-187. | 31. | Z. Lu, W. Xu, W. Zhu, Q. Yang, X. Lei, J. Liu, Y. Li, X. Sun*, X. Duan, Three-dimensional NiFe layered double hydroxide film for high-efficiency oxygen evolution reaction, Chem. Commun. 2014, 50, 6479-6482. | 32. | F. Sun, G. Zhang, Y. Xu, Z. Chang, P. Wan, Y. Li, and X. Sun*, Promoted oxygen reduction activity of Ag/reduced grapheme oxide by incorporated CoOx, Electro. Acta, 2014, 132, 136-141. | 33. | W.Xu, Z. Lu, X. Lei, Y. Li, X. Sun*, A hierarchical Ni-Co-O@Ni-Co-S nanoarray as an advanced oxygen evolution reaction electrode, Phys. Chem. Chem. Phys, 2014, 38, 20402-20405. | 34. | F. Liu, Y. Li*, X. Sun, Effect of internal noise on the oscillation of N2O decomposition over Cu-ZSM-5 zeolites using a stochastic description. J. Chem. Phys. 2014,140, 044715 | 35. | F. Liu, Y. Li*, X. Sun, The isothermal oscillations and fluctuation-driven oscillations of N2O decomposition over Cu-ZSM-5 zeolites, Chem. Phys. Lett. 2013, 584, 195-199. | 36. | X. Liu, Z. Yang, R. Zhang, Q. Li, and Y. Li*, Density Functional Theory Study of Mechanism of N2O Decomposition over Cu-ZSM‑5 Zeolites. J. Phys. Chem. C, 2012,116, 20262−20268. | 37. | Y. Li*, Y. Xing, W. Cao, and Q. Li，Noise-induced effective oscillation in oil-water membrane oscillator，J. Chem. Phys. 129, 194902,2008 | 38. | Y. Li* and W. Cao, Coupling effects on energy transduction in coupled polymer chains with perturbation of noise, J. Chem. Phys. 125, 174716 , 2006 | 39. | Y. Li*, and W. Cao, Critical threshold of noise-induced Ca2+ signal in intracellular Ca2+ system，Chem. Phys. Lett. 432, 281-285, 2006 | 40. | Y. Li*, Q. Li, Critical threshold of noise-induced energy transduction in molecular machinery system, J. Chem. Phys. 124，064703, 2006 | 41. | Y. Li* and Q. Li, Implicit and explicit internal signal stochastic resonance in calcium ion oscillations, Chem. Phys. Lett. 417, 498, 2006 | 42. | Y. Li* and W. Cao, Noise-induced oscillation in a bio-membrane oscillator, The Fifth International Symposium on Advanced Technology: ISAT-5, 2006.11. | 43. | N. Liu, R. Zhang, Y. Li, B.H.Chen, Local Electric Field Effect of TMI (Fe, Co, Cu)-BEA on N2O Direct Dissociation, J. Phys. Chem. C 2014, 118: 10944−10956. | 44. | Y.Gu, Z. Lu, Z. Chang, J. Liu, X.Lei,* Y. Li, X. Sun, NiTi layered double hydroxide thin films for advanced pseudocapacitor electrodes, J. Mater. Chem. A, 2013, 1,10655-10661. | 45. | C. Geng, T. Xu, Y. Li, C. Zheng, X. Sun, and X. Lei, Effect of synthesis method on selective adsorption of thisosulfate by calcined MgAl-LDHs. Chem. Eng. J., 232, 2013, 510-518. | 46. | J. Sun, Y. Li, X. Liu, Q.Yang, J. Liu,* X. Sun, D. G. Evans and X. Duan, Hierarchical cobalt iron oxide nanoarrays as structured catalysts, Chem. Commun., 2012, 48, 3379–3381. | 47. | N. Liu, R. Zhang, B. Chen, Yaping Li, Yingxia Li, Comparative study on the direct decomposition of nitrous oxide over M (Fe, Co, Cu)–BEA zeolites, J. Catal. 2012, 294, 99-112. | 48. | L. Zhao, Y. Li, P. Yu, X. Han, J. He*, Exploration of Dependence of Organo-Catalyzed Enantioselective Michael Addition on the Pore Size of Mesoporous Host, 2012, ACS Catal. 2, 1118−1126. | 49. | N. Liu, B.Chen, Y. Li, R.Zhang,* X. Liang, Y. Li, and Z. Lei, Charge Transfer Analysis on the Direct Decomposition of Nitrous Oxide over Fe-BEA Zeolite: An Experimental and Density Functional Study, J. Phys. Chem. C, 2011, 115, 12883–12890 | 50. | L. Ji, X. Lang, Y. Li, Q.Li，Stimulus perturbation induced signal: A case study in mesoscopic intracellular calcium system, Biophys. Chem. 141 (2009) 231-235. | 51. | B. Chen, N. Liu, X. Liu, R. Zhang, Y. Li, Y. Li, X. Sun, Study on the direct decomposition of nitrous oxide over Fe-beta zeolites: From experiment to theory, Catal.Today, 2011, 175(1), 245-255 | 52. | Y. Li, P. Wang, and Q. Li*, Controlling of explicit internal signal stochastic resonance (EISSR) by varying external signal, J. Chem. Phys. 121，6021，2004 | 53. | Y. Li and Q. Li*, Internal stochastic resonance under two-parameter modulation in intercellular calcium ion oscillations, J. Chem. Phys. 120, 8748，2004 | 54. | Y. Li and Q. Li*, Simulation of explicit internal signal stochastic resonance in a qualitative model for intercellular calcium ion oscillations, Chem. Phys. Lett. 392, 95, 2004 | 55. | Q. Li* and Y. Li, Internal stochastic resonance in two coupled oscillators, Phys. Rew. E 69 (2004) 031109. | 56. | Q. Li*, Y. Li, The effects of an external signal on internal stochastic resonance in a liquid membrane oscillator, Phys. Lett. A, 320 (2003) 109-115. |
Awards
Coking desulfurization waste liquid resource utilization technology, 2013.11.20, social science and technology award, first prize.
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