Cheng's Research Group

  • 程道建 教授

    北京化工大学 化学工程学院 有机无机复合材料国家重点实验室
    ORCID iD: 0000-0001-7977-0750
    Google Scholar: Daojian Cheng
    地址: 北京市朝阳区北三环东路15号北京化工大学 100号信箱

  • Prof. Daojian Cheng

    Professor, Fellow of Royal Society of Chemistry
    Dean of College of Chemical Engineering, BUCT
    Regional Editor of Molecular Simulation and Journal of Experimental Nanoscience
    ORCID iD: 0000-0001-7977-0750
    Google Scholar: Daojian Cheng
    Address: Post Box 100, Beijing University of Chemical Technology, No.15 Beisanhuan
    East Road, Chaoyang District, Beijing 100029, P.R. China



Sept. 2004 – June 2008. Ph.D. in Chemical Engineering from College of Chemical Engineering, Beijing University of Chemical Technology (BUCT), Beijing, P. R. China

Sept. 2000 – July 2004. B.S. in Computer Science and Technology from College of Computer Science and Technology, BUCT, Beijing, P. R. China


Jau. 2015 – Now. Professor in College of Chemical Engineering, Beijing University of Chemical Technology, Beijing, P. R. China

Dec. 2010 – Dec. 2014. Associate Professor in College of Chemical Engineering, Beijing University of Chemical Technology, Beijing, P. R. China

Mar. 2010 – Apr. 2010. EC-funded HPC-Europa2 visitor programme in Institute for Physical and Chemical Processes (IPCF), Italian Research Council (CNR), Pisa, Italy

Oct. 2008 – Nov. 2010. Postdoctoral Research Fellow in Physique des Solides Irradiés et des Nanostructures, Université Libre de Bruxelles (ULB), Bruxelles, Belgium


23’ 2023 Aoyama Science and Technology Award


22’ 2022 Highly Cited Chinese Researchers


22’ 2022 China Petrochemical Federation Youth Science and Technology Outstanding Contribution Award


22’ 2022 Deputy Secretary-General of Process Simulation and Simulation Professional Committee of Chinese Society of Chemical Industry


22’ 2022 Hou Debang Chemical Science and Technology Award-"Innovation Award"


21’2021 China Industry-University-Research Institute Cooperation Promotion Association- The second prize of Industry-University-Research Cooperation Innovation Achievement Award


21’ 2021 China Industry-University-Research Institute Cooperation Promotion Association-Individual Award of Industry-University-Research Cooperation Innovation Award


21’ 2021 Highly Cited Chinese Researchers


21’ First prize of Basic Research Results Award of the 2021 Science and Technology Award of the Chemical Industry and Engineering Society of China


20’ Second prize for Scientific and Technological Progress of the China Petroleum and Chemical Industry Federation


20’ 2020 Highly Cited Chinese Researchers


20’ Regional editor of Molecular Simulation

(兼任SCI期刊《Molecular Simulation》区域主编)

20’ Regional editor of Journal of Experimental Nanoscience

(兼任SCI期刊《Journal of Experimental Nanoscience》区域主编)

20’ Deputy chairman of the Special Committee on Rare Earth Catalysis and Processes of the Chemical Industry and Engineering Society of China


20’ 2020 Important Scientific and Technological Advances of BUCT


19’ Member of the Youth Committee of China Petroleum and Chemical Industry Federation Industrial Catalytic Alliance


19’ Member of the Technical Committee of catalyst test evaluation base of the China Petroleum & Chemical Company


19’ “Instructor of Outstanding PhD Dissertation”, BUCT


19’ “Beijing Higher Education Young Elite Teacher Project” Class A, BUCT


19’ Invited Oral Presentation in 2019 The Chemical Industry and Engineering Society of China(CIESC) Annual Meeting and important contribution for the success of the meeting


18’ National Natural Science Foundation of China-- Outstanding Youth Foundation


18’ Royal Society of Chemistry Certificate of Appreciation in Appreciation of inspiring presentation to the RSC Student Clubs Activity


17’ “Beijing Higher Education Young Elite Teacher Project” Class B, BUCT


17’ “Outstanding Youth Award” at Global Chinese Chemical Engineers Symposium (GCCES)


16’ Fellow of the Royal Society of Chemistry, FRSC


16’ The third-level personnel of the fifth "Project 333" in Jiangsu Province


13’ Beijing Higher Education Young Elite Teacher Project


13’ Outstanding Individuals for International Forum Organization, BUCT


12’ Beijing Novel Program


12’ Star of education of College of Chemical Engineering, BUCT


12’ Outstanding class adviser, BUCT


12’ Honorable Mention of Mathematical Contest in Modeling (Adviser)


12’ Outstanding Achievement Award for Innovation and Entrepreneurship in BUCT (Adviser)


10’ Nominee for National Outstanding Doctoral Dissertation Award


10’ EU funded HPC-EUROPA2 fellowship

(欧盟授予的HPC-EUROPA2 fellowship)

09’ Outstanding Doctoral Dissertation Award of Beijing Municipal Government (total of 50 dissertations)


08’ Outstanding Doctoral Dissertation Award, BUCT


08’ Excellent Graduated Ph.D. Student Award, BUCT


08’ BUCT-HUANQIU Scholarship as excellent Ph.D. student


07’ 3rd Prize of the Ninth Excellent Papers of Beijing Young Scientists, China


07’ 1st Prize of the Excellent Papers of Beijing Innovation Society, China


06’ Innovation Fund for Outstanding Doctoral Dissertation, BUCT


06’ BUCT-DUPONT Scholarship as excellent M.S. student


05’ National 2nd Prize of Graduate Mathematical Contest in Modeling, China


04’ National 2nd Prize of Graduate Mathematical Contest in Modeling, China


04’ Excellent Undergraduate Student of Beijing Municipal Government


04’ Honorable Mention of Mathematical Contest in Modeling, USA


03’ National 2nd Prize of Undergraduate Mathematical Contest in Modeling, China


02’ National 1st Prize of Undergraduate Mathematical Contest in Modeling, China



Design, preparation and application of nano-alloy catalysts for petrochemical, fine chemical and energy chemical applications




32. Cao, D.; Zhang, ZR.; Cui, YH.; Zhang, YH.; Zhang, LP.; Zeng, J*. and Cheng, DJ.*; One-Step Approach for Constructing High-Density Single-Atom Catalysts toward Overall Water Splitting at Industrial Current Densities. Angewandte Chemie International Edition 2023, 62, e202214259. 

31. Cuo, M.; Ma, PJ.; Wei, L.; Wang, JY.; Wang, ZW.; Zheng,K; Cheng, DJ.; Liu,YX.; Dai,HX.; Guo,GS.; Duan,EH. and Deng,JG*.; Highly Selective Activation of C–H Bond and Inhibition of C–C Bond Cleavage by Tuning Strong Oxidative Pd Sites. Journal of the American Chemical Society 2023, 145(20),11110-11120. 

30. Xia,W.; Ma,MY.; Guo,XY.; Cheng, DJ.; Wu,DF*. and Cao,D*. Fabricating Ru Atom-Doped Novel FeP4/Fe2PO5 Heterogeneous Interface for Overall Water Splitting in Alkaline Environment. ACS Appl. Mater. Interfaces 2023, 15, 44827-44838.

29. Ma,MY.; Xia,W.; Guo,XY.; Liu,WH.; Cao,D*. and Cheng, DJ*.;Constructing Ni3Se2-Nanoisland-Confined Pt1Mo1 Dual-Atom Catalyst for Efficient Hydrogen Evolution in Basic Media SMALL STRUCTURES 2023.

28. Cao, D.; Shao, J.; Cui, YH.; Zhang, LP. and Cheng, DJ.*; Interfacial Engineering of Copper–Nickel Selenide Nanodendrites for Enhanced Overall Water Splitting in Alkali Condition. small 2023, 2301613. 

27. Wang, JY.; Xu, HX.; Che, CX.; Zhu, JQ.; and Cheng, DJ.*, Rational Design of PdAg Catalysts for Acetylene Selective Hydrogenation via Structural Descriptor-based Screening Strategy. ACS Catalysis 2023, 13(1), 433-444.  

26. Cao, D.; Huang, XY.; Zhang, HM.; Liu, WH. and Cheng, DJ.*, Constructing porous RuCu nanotubes with highly efficient alloy phase for water splitting in different pH conditions. Chemical Engineering Journal 2023, 456, 141148. 

25. Qiao, ZZ.; Zhang, K.; Liu, J.; Cheng, DJ.; Yu, BR.; Zhao, NN.*; Xu, FJ.*; Biomimetic electrodynamic nanoparticles comprising ginger-derived extracellular vesicles for synergistic anti-infective therapy. Nature Communications 2022, 13, 7164.  

24. Cao, D.; Hu, HX.; Li, HL.; Chen, F.; Zeng, J.* and Cheng, DJ*.; Volcano-type relationship between oxidation states and catalytic activity of single-atom catalysts towards hydrogen evolution. Nature Communications 2022, 13, 5843.  

23. Guo, M.; Ma, PJ.; Wang, JY.; Xu, HX.; Zhang, K.; Cheng, DJ.; Liu, YX.; Guo, GS.; Dai, HX.; Duan, EH.; Deng, JG.*; Synergy in Au-CuO Janus Structure for Catalytic Isopropanol Oxidative Dehydrogenation to Acetone. Angewandte Chemie International Edition 2022, 61, e202203827. 

22. Xu, H.; Xu, HX.*; Cheng, DJ.*, Resolving the Reaction Mechanism for Oxidative Hydration of Ethylene toward Ethylene Glycol by Titanosilicate Catalysts. ACS Catalysis 2022, 12, 9446-9457. 

21. Xu, H.; Cheng, D.*; Cao, D. *; Zeng, X. C. *, A universal principle for a rational design of single-atom electrocatalysts. Nature Catalysis 2018, 1 (5), 339-348. (Highly Cited Paper)
(Nebraska Today, May 15, 2018; Nature Catalysis News, May, 2018 ; Chemical & Engineering News, May 7, 2018 )

20. Elouarzaki, K.; Cheng, D.; Fisher, A. C.; Lee, J.-M. *, Coupling orientation and mediation strategies for efficient electron transfer in hybrid biofuel cells. Nature Energy 2018, 3 (7), 574-581 (Nature Energy News & Views, June 4, 2018 )

19. Yang, L.1; Cheng, D.1; Xu, H.; Zeng, X.; Wan, X.; Shui, J.; Xiang, Z.; Cao, D. *, Unveiling the high-activity origin of single-atom iron catalysts for oxygen reduction reaction. Proc Natl Acad Sci U S A 2018, 115 (26), 6626-6631. 

18. Cao, D. 1; Xu, H. 1; Cheng, D.*, Branch-leaf-shaped CuNi@NiFeCu nanodendrites as highly efficient electrocatalysts for overall water splitting. Applied Catalysis B: Environmental 2021, 298(5), 120600. 

17. Xu, H. 1; Zhu, L. 1; Nan, Y.; Xie, Y.; Cheng, D.*, Revisit the Role of Metal Dopants in Enhancing the Selectivity of Ag-Catalyzed Ethylene Epoxidation: Optimizing Oxophilicity of Reaction Site via Cocatalytic Mechanism. ACS Catalysis 2021, 11, 3371-3383. 

16. Cao, D. 1; Wang, J. 1; Zhang, H.; Xu, H. *; Cheng, D.*, Growth of IrCu nanoislands with rich IrCu/Ir interfaces enables highly efficient overall water splitting in non-acidic electrolytes. Chemical Engineering Journal 2021, 416 (15), 129128. 

15. Xiao, F. 1; Liu, X. 1; Sun, C.-J.; Hwang, I.; Wang, Q.; Xu, Z.; Wang, Y.; Zhu, S.; Wu, H.-w.; Wei, Z.; Zheng, L.; Cheng, D.; Gu, M.; Xu, G.-L.*; Amine, K.*; Shao, M.*, Solid-State Synthesis of Highly Dispersed Nitrogen-Coordinated Single Iron Atom Electrocatalysts for Proton Exchange Membrane Fuel Cells. Nano Letters 2021, 21 (8), 3633-3639. 

14. Cao, D. 1; Wang, J. 1; Xu, H. ; Cheng, D.1, Construction of Dual-Site Atomically Dispersed Electrocatalysts with Ru-C5 Single Atoms and Ru-O4 Nanoclusters for Accelerated Alkali Hydrogen Evolution. Small 2021, 2101163.
DOI: 10.1002/smll.202101163 

13. Cao, D.; Wang, J.; Xu, H.; Cheng, D.*, Growth of Highly Active Amorphous RuCu Nanosheets on Cu Nanotubes for the Hydrogen Evolution Reaction in Wide pH Values. Small 2020, 16 (37), 2000924.

12. Cao, D.; Xu, H.; Cheng, D.*, Construction of Defect‐Rich RhCu Nanotubes with Highly Active Rh3Cu1 Alloy Phase for Overall Water Splitting in All pH Values. Advanced Energy Materials 2020, 10 (9), 1903038.

11. Huang, X.; Xu, H.; Cao, D.; Cheng, D.*, Interface construction of P-Substituted MoS2 as efficient and robust electrocatalyst for alkaline hydrogen evolution reaction. Nano Energy 2020, 78, 105253.

10. Huang, X.; Xu, X.; Luan, X.; Cheng, D.*, CoP nanowires coupled with CoMoP nanosheets as a highly efficient cooperative catalyst for hydrogen evolution reaction. Nano Energy 2020, 68, 104332.

9. Huang, X.; Xu, X.; Li, C.; Wu, D.; Cheng, D.*; Cao, D. *, Vertical CoP Nanoarray Wrapped by N,P‐Doped Carbon for Hydrogen Evolution Reaction in Both Acidic and Alkaline Conditions. Advanced Energy Materials 2019, 9 (22). 

8. Yang, L.; Xu, H.; Liu, H.; Cheng, D.*; Cao, D. *, Active Site Identification and Evaluation Criteria of In Situ Grown CoTe and NiTe Nanoarrays for Hydrogen Evolution and Oxygen Evolution Reactions. Small Methods 2019, 3 (5). 

7. Zhang, J.; Xu, X.; Yang, L.; Cheng, D.*; Cao, D. *, Single‐Atom Ru Doping Induced Phase Transition of MoS2 and S Vacancy for Hydrogen Evolution Reaction. Small Methods 2019, 3 (12). 

6. Yang, Y.; Xu, H.; Cao, D. *; Zeng, X. *; Cheng, D.*, Hydrogen Production via Efficient Formic Acid Decomposition: Engineering the Surface Structure of Pd-Based Alloy Catalysts by Design. ACS Catalysis 2019, 9 (1), 781-790. 

5. Huang, Y.; Hu, J.; Xu, H.; Bian, W.; Ge, J.; Zang, D.; Cheng, D.*; Lv, Y.; Zhang, C.; Gu, J.; Wei, Y., Fine Tuning Electronic Structure of Catalysts through Atomic Engineering for Enhanced Hydrogen Evolution. Advanced Energy Materials 2018, 8 (24), 1800789.  

4. Wang, Z.; Li, Q.; Xu, H.; Dahl-Petersen, C.; Yang, Q.; Cheng, D.; Cao, D.; Besenbacher, F.; Lauritsen, J. V.; Helveg, S.; Dong, M. *, Controllable etching of MoS2 basal planes for enhanced hydrogen evolution through the formation of active edge sites. Nano energy 2018, 49, 634-643. 

3. Xu, H.; Cheng, D.*; Gao, Y. *; Zeng, X. C. *, Assessment of Catalytic Activities of Gold Nanoclusters with Simple Structure Descriptors. ACS Catalysis 2018, 8 (10), 9702-9710. 

2. Xu, H.; Cheng, D.*; Gao, Y. *, Design of High-Performance Pd-Based Alloy Nanocatalysts for Direct Synthesis of H2O2. ACS Catalysis 2017, 7 (3), 2164-2170.  

1. Cheng, D.; Lan, J.; Cao, D. *; Wang, W, Adsorption and dissociation of ammonia on clean and metal-covered TiO2 rutile (1 1 0) surfaces: A comparative DFT study. Applied Catalysis B: Environmental 2011, 106 (3-4), 510-519.