Research Group on 

Structured Thermodynamics and Micro/Nano Chemical Engineering

Publications
2023


2. Y. Gao, C. Wei, S. Zhao, W. Gao*, Z. Li, H. Li, J. Luo, X. Song, Conductive double-network hydrogel for a highly conductive anti-fatigue flexible sensor, J. Appl. Polym. Sci. 140 (2023) e53327.


3. R. Shi, X. Wang, X. Song, B. Zhan, X. Xu, J. He*, S. Zhao*, Tensile performance and viscoelastic properties of rubber nanocomposites filled with silica nanoparticles: A molecular dynamics simulation study, Chem. Eng. Sci. 267 (2023) 118318. 


4. R. Cong, M. Wang, W. Cao, Z. Li, S. Zhao*, Z. Zhang, Y. Gao, M. Liu, J. Zhang, X. Xie, S. Liang, W. Gao*, Facile preparation of Cross-linked polyester composite rubber with excellent mechanical strength and high toughness by loading adjustable Low-cost clay, Chem. Eng. J. 455 (2023) 140794. 


5. B. Deng, P. Chen, P. Xie, Z. Wei*, S. Zhao*, Iterative machine learning method for screening high-performance catalysts for H2O2 production, Chem. Eng. Sci. 267 (2023) 118368.


6. J. Liu#, Z. Wei#, Z. Gong, M. Yan, Y. Hu, S. Zhao*, G. Ye*, H. Fei*, Single-atom CoN4 sites with elongated bonding induced by phosphorus doping for efficient H2O2 electrosynthesis, Appl. Catal. B Environ. 324 (2023) 122267.


7. Z. Yang, Z. Wei, S. Zhou, B. Bao, S. Zhao*, F. Gong*, Direct Thermal Catalytic Synthesis of Hydrogen Peroxide by Using Microchip Reactor, Chem. Eng. J. 456 (2023) 140915.


8. D. Ma, S. Ma, Y. Li*, J. Yuan*, J. He, S. Zhao, Reactivities of silane coupling agents in the silica/rubber composites: Theoretical insights into the relationships between energy barriers and electronic characteristics, J. Comput. Chem. 44 (2023) 581–593.


9. W. Luo, F. Liu, Y. Guo, J. Qiu, J. Yan, S. Zhao, B. Bao*.Continuous synthesis of dolutegravir sodium crystals using liquid-gas heterogeneous microreactor. Chinese Chem. Lett. 34 (2023) 107636.


10. M. Yan#, Z. Wei#, Z. Gong, B. Johannessen, G. Ye*, G. He, J. Liu, S. Zhao*, C. Cui*, H. Fei*, Sb2S3-templated synthesis of sulfur-doped Sb-N-C with hierarchical architecture and high metal loading for H2O2 electrosynthesis, Nat. Commun. 14 (2023) 368.


11. T. Zhao, S. Zhou, Z. Xu*, S. Zhao*, Molecular insights into temperature oscillation of electric double-layer capacitors in charging–discharging cycles, J. Power Sources. 559 (2023) 232596.


12. J. Ma#, Z. Wen#, P. Xiao, P. Wang, J. Luo, X. Han, S. Zhao*, Emulsification Mechanism of Surfactants in Different Oil Phases: A Dissipative Particle Dynamics Study, Colloids Surf. A Physicochem. Eng. Asp. 665 (2023) 131213.


13. R. Shi, J. Ma, X. Song, B. Zhan, X. Xu, S. Zhao*, J. He*, Composition effects on thermodynamic properties and interfacial structure in styrene-butadiene rubber: A combined experimental and simulation study, Chem. Eng. Sci. 275 (2023) 118750.


14. Z. Yang#, Z. Hao#, S. Zhou, P. Xie, Z. Wei*, S. Zhao*, F. Gong, Pd–Sn Alloy Catalysts for Direct Synthesis of Hydrogen Peroxide from H2 and O2 in a Microchannel Reactor, ACS Appl. Mater. Interfaces. 15 (2023) 23058–23067.


15. H. Zhang, W. Tang*, P. Xie, S. Zhao*, Demystifying Solvent Effects on Diels–Alder Reactions in Pure and Mixed Solvents: A Combined Electronic DFT and QM/MM Study, Ind. Eng. Chem. Res. 62 (2023) 7721–7730.


16. J. Lan#, Z. Wei#, Y.-R. Lu#, D. Chen, S. Zhao, T.-S. Chan*, Y. Tan*, Efficient electrosynthesis of formamide from carbon monoxide and nitrite on a Ru-dispersed Cu nanocluster catalyst, Nat. Commun. 14 (2023) 2870.


17. P. Chen#, Z. Yang#, S. Zhou, Z. Wei*, S. Zhao*, Insights into dynamic evolution of surface oxidized Pd clusters for efficient hydrogen peroxide production, Chem. Eng. J. 468 (2023) 143672. 


18. R. Wang, Y. Liu, Y. Kong, P. Xie, S. Zhao*, Hierarchically Structured SnO/NiCo2O4/CC Catalysts with Stability and Superior Faradaic Efficiency for Electrocatalytic CO2 Reduction to Formic Acid, Chem. Eng. J. 469 (2023) 144049. 


19. J. Yan, J. Lu, J. Qiu, Y. Guo, S. Zhao, B. Bao*, Anti-solvent Crystallization Behavior of Triphenylmethanol in a Droplet-based Microfluidic Device, Chem. Eng. Sci. 280 (2023) 118971.


20. X. Wang, X. Song, W. Tang, S. Zhao*, X. Xu*, Microstructure Effects on Mechanical Properties of Network-Forming Polymer Systems: An Atomistic Simulation Study, Chem. Eng. Sci. 280 (2023) 118986.


21. G. Jing, W. Tang, S. Zhao*, X. Xu*, Reaction and Diffusion Coupling on Polymer-Modified Surface: Insights from Dynamic Reaction Density Functional Theory, Ind. Eng. Chem. Res. 62 (2023) 9563–9571.


22. H. Yu#, W. Tang#, X. Xu, S. Zhao*, Molecular interaction-based reaction-diffusion coupling within catalytic nanochannels, J. Mol. Liq. 386 (2023) 122518. 


23. T. Zhao, S. Zhao, S. Zhou*, Z. Xu*, How the Thermal Effect Regulates Cyclic Voltammetry of Supercapacitors, ACS Energy Lett.  8 (2023) 3365–3372.


24. Y. Lin, W. Tang*, P. Xiao*, J. Ma, X. Han, X. Xu, J. Luo, S. Zhao*, Synergistic Effect of Salt and Anionic Surfactants on Interfacial Tension Reduction: Insights from Molecular Dynamics Simulations, Langmuir. 39 (2023) 12392–12401.


27  25.  M* Wang, S. Liang, S. Zhao*, W. Gao*, Z. Li, Facile Preparation of a Low-Cost Liquid Interlayer Material with Intelligent UV-NIR-Shielding Function for Smart Windows, ACS Appl. Mater. Interfaces. 15 (2023) 48673–48682. 

28

  2826. S. Xi, M. Cui, Q. Gao, S. Zhao*, X. Xu*, Mechanical Properties of Polybutadiene Rubber with Oxidation Defects: Insights from Molecular Dynamics Simulations, Ind. Eng. Chem. Res. 62 (2023) 16447–16455.

29X

X 2 27.  C Z. Qiao#, H.R. Jiang#, S.L. Zhao*, W. Dong*,  A general approach based on morphological thermodynamics for a fluid confined in various porous media, J. Mol. Liq. 392 (2023) 123345. 

     

     28. D. Chen#, J. Lan#, F. Xie#, J. Peng, M. Peng, C. Sun, Z. Wei*, S. Zhao, M. Wang, P. Liu, L. Han*, Y. Tan*, Boosting protonation kinetics for ammonia electrosynthesis on Ru sites embedded in nanoporous ReSe2, Chem. Eng. J. 475 (2023) 146137. 


29. J. Yin, X. Wang, W. Tang, X. Xu*, S. Zhao, F. zhen Xuan*, A multiscale model for predicting mechanical properties of polymer composites, Chem. Eng. Sci. 282 (2023) 119352. 


30. Y. Lin, W. Tang*, P. Xiao*, J. Ma, X. Han, X. Xu, J. Luo, S. Zhao*, Synergistic Effect of Salt and Anionic Surfactants on Interfacial Tension Reduction: Insights from Molecular Dynamics Simulations, Langmuir. 39 (2023) 12392–12401.


31. X. Duan, W. Cao, X. He, M. Wang, R. Cong, Z. Zhang, C. Ning, C. Wang, S. Zhao, Z. Li*, W. Gao*, Realization of dual crosslinked network robust, high toughness self-healing polyurethane elastomers for electronics applications, Chem. Eng. J. 476 (2023) 146536.


32. F. Zhu, A. Kuzin, G. Chen, D.A. Gorin, B. Mohan, G. Huang*, S. Zhao, Y. Mei*, A.A. Solovev*, Green Energy for Autonomous Devices: Surfactant-Enhanced Membraneless Hydrogen Peroxide Fuel Cells*, 2023 International Conference on Manipulation, Automation and Robotics at Small Scales (MARSS), Abu Dhabi, United Arab Emirates, 2023 ,1-6.

 

33. W. Tang, S. Zhao*, J. Huang*, Origin of Solvent Dependency of the Potential of Zero Charge, JACS Au. 3 (2023) 3381–3390.