Year 2025
36. Chen, J., Huang, X., Hua, C., He, Y.*, Schwaller, P.*,A multi-modal transformer for predicting global minimum adsorption energy. *Co-corresponding author (under revision)（ChemRxiv)
35. Guo, Y., Liu, X., Gao, Y., Wang, X., Ding, L., Pan, W., Hua, C., He, Y., Chen, X., Dai, Z., Yu, G., Wang, F.,AutoML for calorific value prediction using a large database from the coal gasification practices in China. International Journal of Coal Science & Technology, 2025
Year 2024
34. Tian, F.#, Yao, Y.#, Yang, L., He, Y.*, Dry methane reforming process for conversion of hydrocarbons to hydrogen. 《Hydrogen Production from Nonrenewable Resources》, CRC Press/Taylor & Francis, 2024, Invited book chapter *Corresponding author (Link)
33. Li, Z., Zhao, C., Wang, H., Ding, Y., Chen, Y., Schwaller, P., Yang, R., K., Hua, C.*, He, Y.* Interpreting Chemisorption Strength with AutoML-based Feature Deletion Experiments. Proceedings of the National Academy of Sciences, 2024,121（12），e2320232121 *Co-corresponding author （ChemRxiv)（Link)
32. Yang, L.#, Jiang, M.#, Tian, F., He, Y.*, Recent advances and new concepts in CO2 conversion and applications,《Advances and Technology Development in Greenhouse Gases: Emission, Capture and Conversion》, Elsevier. 2024, Invited book chapter *Corresponding author (Link)
31.Yecheskel, Y.,; Shreim, L. ; Ying, Z.;Yashar, O.; He, Y.; Zucker, Ines. Catalytic Ozonation using MnO2-Enabled Membranes: Toward Direct Delivery of Hydroxyl Radicals. Environmental Science & Technology Letters, 2024,11(2),179-184(Link)
30. Tang, J.*, Zhao, T., He, Y.*, Guo, R., Pan, W., Zhang, H., Dou, B.*, Amorphous cobalt boride as metallic photocatalysts for efficient water splitting operable over 800 nm. Renewable Energy, 2024, 119916 *Co-corresponding author (Link)
29. Tang, J.*, Pan, W.*, He, Y.*, Zhao, T., Wang, Q., Guo, R.* , Function-oriented bifunctional Mg & MoP modified graphic carbon nitride for selective photoreduction CO2 to CH4. Chemical Engineering Journal, 2024, 481, 148382. *Co-corresponding author (Link)
28. Yang, L., Pu, T., Tian, F., He, Y.*, Zhu, M.*, Revealing the Anti-sintering Phenomenon on Silica-Supported Nickel Catalysts during CO2 hydrogenation. J. Environ. Sci. 2024, 140, 270-278 (Invited article) *Co-corresponding author （Link)
Year 2023
27. Chen, J., Huang, X., Hua, C., He, Y.*, Schwaller, P.* AdsGT: Graph Transformer for Predicting Global Minimum Adsorption Energy. NeurIPS 2023-AI4Science, 2023 *Co-corresponding author (Link)
26. He, Y., Huang, D., Single-Atom Platinum Catalyst for Efficient CO2 Conversion via Reverse Water Gas Shift Reaction. Molecules, 2023, 28 (18), 6630. (Invited article) (Link)
25. Hussain, S., Chen, X., Gao, Y., Song, H., Tian, X., He, Y., Abbas, A., Afroz, M. A., Hao, Y., Gao, R., Unveiling the Transformation from Aggregation-Caused Quenching to Encapsulation-Induced Emission Enhancement for Improving the Photoluminescence Properties and Detection Performance of Conjugated Polymer Material in Multiple States. Adv. Optical Mater. 2023, 2202851. (Link)
24. Yang, L., He, Y.*, Xiong, H., Editorial: Catalysis Rising Stars in China, Frontiers in Chemistry, 2023, *Corresponding author (Link, e-Book)
23. Yang, L., Ding, Y., Huang, X., Gao, Y., Hua, C., He, Y.*, Economics of Processes Involving CO2 in Circular Economy, 《Circular Economy Processes for CO2 Capture and Utilization》, Elsevier, 2023, Invited book chapter (In press) *Corresponding author （Elsevier, Amazon)
Year 2022
22. Yang, L.; Gandara-Loe, J.; Pastor-Pérez, L.; Zhang, Q.; He, Y.; Reina, R. T.; Gas-phase CO2 recycling via Reverse Water-Gas Shift reaction: a comprehensive overview. 《Chemical Valorisation of Carbon Dioxide》, Royal Society of Chemistry, 2022. (Link)
21. Zhao, T.; Zhao, Q.; Lee, J.; Yang, S.; Wang, H.; Zhuang, M.; He, Y., Liu, G.; Oh, N.; Murray, C.; Kagan, C., Engineering the Surface Chemistry of Colloidal InP Quantum Dots for Field-Effect Transistors. Chemistry of Materials, 2022. 34, (18), 8306-8315 (Link)
20. Song, H.; Wang, F.; Zhao, Y.; Gao, R.; He, Y.; Yan, Q.; Chen, X.; Pfefferle, L.; Xu, S.; Sheng, Y.; Spatially-directed Magnetic Molecularly Imprinted Polymers with Good Anti-interference for Simultaneous Enrichment and Detection of Dual Disease-related Bio-indicators. Nanoscale, 2022, 14(31), 11343-11352 (Link)
19. Hussian, S.; Chen, X.; Wang, C.; Hao, Y.; Tian, X.; He, Y.; Li, J.; Shahid, M.; Iyer, P.; Gao, R.; Aggregation and Binding-Directed FRET Modulation of Conjugated Polymer Materials for Selective and Point-of-Care Monitoring of Serum Albumins. Analytical Chemistry, 2022, 94 (30), 10685-10694 (Link)
18. Yang, L.; Heinlein, J.; Hua, C.; Gao, R.; Hu, S.; Pfefferle, L.; He, Y.* Emerging Dual-functional 2D Transition Metal Oxides for Carbon Capture and Utilization: A Review. 2022, Fuel. 324, 124706 *Corresponding author (Link)
17. Chi, Z.; Yang, L.; Li, X.; He, Y.; Xiao, W.; CO Oxidative Coupling with Nitrite to Oxalate over Palladium catalyst: A Comprehensive Kinetic Modeling. Chem. Eng. J. 2022, 136656. (Link)
16. Gao, Y.#; Jiang, M.#; Yang, L.; He, Y.* Recent Advances of Catalytic Methane Combustion Over Transition Metal Oxide Catalysts. Frontiers in Chem., 2022,10 (Link) *Corresponding author
15. Li, HX.; Yang, L.; Chi, Y.; Zhang, Y.; Li, X.; He, Y.; Reina, T.; Xiao, W.; CO2 Hydrogenation to Methanol Over Cu/ZnO/Al2O3 Catalyst: Kinetic Modeling Based on Either Single- or Dual-Active Site Mechanism. Catal Lett 2022. (Link)
Before JI
14. Hao, Y.; Gao, Y.; Gao, L.; He, Y.; Niu, Y.; Hussain, S.; Gao, R.; Pfefferle, L. D.; Shahid, M.; Wang, S., Amphiphilic core-shell magnetic adsorbents for efficient removal and detection of phthalate esters. Chem. Eng. J. 2021, 129817. (Link)
13. Song, H.; Zhang, H.; He, Y.; Gao, R.; Wang, Y.; Wang, W.; Pfefferle, L. D.; Tang, X.; Tang, Y., Novel bayberry-and-honeycomb-like magnetic surface molecularly imprinted polymers for the selective enrichment of rutin from Sophora japonica. Food Chem. 2021, 129722. (Link)
12. Tian, X.; Gao, R.; Wang, Y.; He, Y.; Hussain, S.; Heinlein, J. A.; Tian, J.; Pfefferle, L.; Tang, X.; Tang, Y., Layer-by-layer assembled magnetic molecularly imprinted nanoparticles for highly specific recovery of luteolin from honeysuckle leaves. Green Chem. 2021. (Link)
11. Wang, C.; Hao, Y.; Wang, Y.; Song, H.; Hussain, S.; Gao, R.; Gao, L.; He, Y.*; Zheng, G.; Tang, Y., Multiwall Carbon Nanotubes Non-covalently Functionalized by Porphyrin–Sn Networks for Protein Adsorption. ACS Appl. Nano Mater. 2021, 4 (3), 2345-2350. *Corresponding author (Link)
10. Zhao, T.; Yanagi, R.; Xu, Y.; He, Y.; Song, Y.; Yang, M.; Hu, S., A coating strategy to achieve effective local charge separation for photocatalytic coevolution. Proc. Natl. Acad. Sci. 2021, 118 (7), e2023552118. (Link)
9. Shen, X.; Yao, M.; Sun, K.; Zhao, T.; He, Y.; Chi, C.-Y.; Zhou, C.; Dapkus, P. D.; Lewis, N. S.; Hu, S., Defect-Tolerant TiO2-Coated and Discretized Photoanodes for >600 h of Stable Photoelectrochemical Water Oxidation. ACS Energy Lett. 2020, 193-200. (Link)
8. He, Y.; Guo, F.; Yang, K. R.; Heinlein, J. A.; Bamonte, S. M.; Fee, J. J.; Hu, S.; Suib, S. L.; Haller, G. L.; Batista, V. S.; Pfefferle, L. D., In Situ Identification of Reaction Intermediates and Mechanistic Understandings of Methane Oxidation over Hematite: A Combined Experimental and Theoretical Study. J. Am. Chem. Soc. 2020, 142 (40), 17119-17130. (Link) Most cited paper in JACS (2020-2021)
7. He, Y.; Yang, K. R.; Yu, Z.; Fishman, Z. S.; Achola, L. A.; Tobin, Z. M.; Heinlein, J. A.; Hu, S.; Suib, S. L.; Batista, V. S.; Pfefferle, L. D., Catalytic manganese oxide nanostructures for the reverse water gas shift reaction. Nanoscale 2019, 11 (35), 16677-16688. (Link)
6. Zucker, I.; Hashmi, S. M.; Yang, J.; He, Y.; Pfefferle, L. D.; Elimelech, M., Shape-Dependent Interactions of Manganese Oxide Nanomaterials with Lipid Bilayer Vesicles. Langmuir 2019, 35 (43), 13958-13966. (Link)
5. He, Y.; Fishman, Z. S.; Yang, K. R.; Ortiz, B.; Liu, C.; Goldsamt, J.; Batista, V. S.; Pfefferle, L. D., Hydrophobic CuO Nanosheets Functionalized with Organic Adsorbates. J. Am. Chem. Soc. 2018, 140 (5), 1824-1833. (Link)
4. Chen, H.; Bai, W. J.; He, Y.; Pfefferle, L. D.; Qi, S. T.; Wu, Y. L., Catalytic Hydrogenation of Octanoic Acid in the Gaseous Phase on Ni Catalysts: The Effect of Support Species and Structure. Industrial & Engineering Chemistry Research 2018, 57 (48), 16272-16283. (Link)
3. Chen, H.; He, Y.; Pfefferle, L. D.; Pu, W.; Wu, Y.; Qi, S., Phenol Catalytic Hydrogenation over Palladium Nanoparticles Supported on Metal-Organic Frameworks in the Aqueous Phase. ChemCatChem 2018, 10 (12), 2558-2570. (Link)
2. Fishman, Z. S.; He, Y.; Yang, K. R.; Lounsbury, A. W.; Zhu, J.; Tran, T. M.; Zimmerman, J. B.; Batista, V. S.; Pfefferle, L. D., Hard templating ultrathin polycrystalline hematite nanosheets: effect of nano-dimension on CO2 to CO conversion via the reverse water-gas shift reaction. Nanoscale 2017, 9 (35), 12984-12995. (Link)
1. Fishman, Z. S.; Rudshteyn, B.; He, Y.; Liu, B.; Chaudhuri, S.; Askerka, M.; Haller, G. L.; Batista, V. S.; Pfefferle, L. D., Fundamental Role of Oxygen Stoichiometry in Controlling the Band Gap and Reactivity of Cupric Oxide Nanosheets. J. Am. Chem. Soc. 2016, 138 (34), 10978-85. (Link)
Conferences
11.[Oral] 第4届分子科学博士后学术年会, Beijing, China (2024)
以自动机器学习方法分析化学吸附强度
10. [Local organization committee] 3rd Asian Conference on Thermal Sciences, Shanghai, China (2024)
9. [Invited talk & Session Chair] International Conference on Carbon Neutrality 2023, Shanghai, China (2023)
Catalytic Activation of Methane via Heterogeneous Catalysis
8. [Invited talk] International Conference on Low-Carbon Energy and Chemical Technology at Xi’an, China (2023)
Enzyme-Inspired Transition Metal Oxide Catalysts Design
7. [Poster] 19th National Youth Catalysis Conference by Chinese Chemical Society at Nanjing, China (2023)
Novel Nanostructured Transition Metal Oxides for C1 Catalysis.
6. [Invited seminar] State Key Laboratory of Materials Processing and Die & Mound Technology at Wuhan, China (2022)
Novel Nanostructured Transition Metal Oxides for C1 Catalysis.
5. [Conference talk] ENFL division at ACS Spring, San Diego, CA, USA (2022)
Direct Z-scheme Photocatalytic Water Splitting over an α-Fe2O3-Cu2O Heterojunction with Ultrafast Interfacial Charge Transfer.
4. [Poster] Mathematics in Chemical Kinetics and Engineering, Shanghai, China (2021)
Revisiting CO Coupling reaction with Methyl Nitrite over Pd/α-Al2O3 catalyst: Mechanism and Kinetics
3. [Conference talk] Catalysis & Reaction Engineering division at AIChE (2020)
Mars Van Krevelen Catalytic Methane Combustion Via Formate Intermediates over Hematite: Atomistic Surface Studies and DFT.
2. [Poster] Catalysis & Reaction Engineering division at AIChE, Orlando, FL, USA (2019)
Novel Nanostructured Transition Metal Oxides for Catalysis.
1. [Invited User Poster] Center of Functional Nanomaterials Triennial Review, Brookhaven National Lab, NY, USA (2019)
2D Transition Metal Oxide Nanomaterials for (Photo)catalytic applications.