主持的科研项目：

1. 国家自然科学基金（重点项目）“基于多尺度计算与大数据技术的VOCs氧化促进海洋二次颗粒物形成机理研究”，协作单位负责人，2023.01- 2027.12，81.25万

2. 国家重点研发计划 “多元前体物参与的新粒子生成与增长机制”，骨干课题负责人 2022.10-2025.12，56.4万

3. 国家自然科学基金（面上项目）“芳香烃大气二代反应：有机氢过氧化物及硝酸酯的氧化机制与动力学”，项目负责人 2022.01-2025.12，76.05万

4. 辽宁省组织部兴辽英才计划项目(青年拔尖人才)“挥发性化学品的,大气转化机制与动力学”，项目负责人 2020.01-2023.12，50万

5. 国家自然科学基金（面上项目）“气相成核前驱体促进甲磺酸成核分子机制的计算模拟”，项目负责人， 2019.01-2022.12，65万

6. 国家自然科学基金（面上项目）“氯自由基引发有机胺类污染物在气相及大气水表面的转化”，项目负责人， 2017.01-2020.12，68万

7. 国际(地区)合作与交流项目“化学品环境行为与毒理效应的虚拟筛选与测试技术”，项目骨干，2017.01-2021.12，300万

8. 大连市高层次人才创新支持计划“ZnO/HZSM₅催化剂物性-反应性的构效关系研究”，项目负责人， 2016.01-2017.12，10万

9. 大连理工大学重大项目培育科研专题“化学品风险预测与环境管理支撑技术”，项目负责人，2015.01-2016.12，30万

10. 国家自然科学基金（面上项目）“羟基自由基引发多溴联苯醚替代品的大气转化机制及动力学”，项目负责人，2015.01-2016.12，50万

11. 国家自然科学基金（青年基金）“胺类化合物捕捉CO₂反应机制和影响因素的理论研究”，项目负责人，2013.01-2015.12，24万

12. 国家863课题“化学品种类快速甄别及毒性模型测试技术”(2012AA06A301)。项目骨干，2012.01-2014.12，737万

13. 大连理工大学引进人才启动基金“影响胺类化合物吸收CO₂因素及机制的理论研究”，项目负责人，2012.01-2013.12，12万

发表的专利：

1. 采用定量结构活性关系模型预测有机胺促进硫酸成核潜力的方法，谢宏彬、李雪、马芳芳，申请号：CN202211512547.0，公开号：CN115775599A；

2. 一种预测大气中有机胺促进甲磺酸驱动新粒子生成潜力的线性回归方法，谢宏彬、李雪、马芳芳，申请号：CN202210275380.4，公开号：CN115527623A；

3. 一种二氧化碳氧化乙烷脱氢制乙烯的催化剂及其制备方法，谢宏彬、杨金鹏、刘家旭、贺宁、郭洪臣，申请号：CN201811453073.0，公开号：CN109433257A；

4. 一种CO₂氧化C₂H₆脱氢制C₂H₄的催化剂及其制备方法，刘家旭、杨金鹏、谢宏彬、贺宁、郭洪臣，申请号：CN201811453072.6，公开号：CN109433252A；

5. 采用定量结构‑活性关系模型预测有机化学品的氯自由基反应速率常数的方法，谢宏彬、张勇虔、李雪花、陈景文，申请号：CN201710764713.9，公开号：CN107563133A。

代表性论文：

1. Rongjie Zhang^#, Fangfang Ma^#, Yangjie Zhang, Jingwen Chen, Jonas Elm, Xu-Cheng He, and Hong-Bin Xie*. HIO₃-HIO₂-Driven Three-Component Nucleation: Screening Model and Cluster Formation Mechanism. Environ. Sci. Technol. 2024, 58, 1, 649-659.

2. Xu-Cheng He*, Mario Simon, Siddharth Iyer, Hong-Bin Xie*, Birte Rörup, Jiali Shen, Henning Finkenzeller, Dominik Stolzenburg, Rongjie Zhang, Andrea Baccarini, Yee Jun Tham, Mingyi Wang, Stavros Amanatidis, Ana A. Piedehierro, Antonio Amorim, Rima Baalbaki, Zoé Brasseur, Lucía Caudillo, Biwu Chu, Lubna Dada, Jonathan Duplissy, Imad El Haddad, Richard C. Flagan, Manuel Granzin, Armin Hansel, Martin Heinritzi, Victoria Hofbauer, Tuija Jokinen, Deniz Kemppainen, Weimeng Kong, Jordan Krechmer, Andreas Kürten, Houssni Lamkaddam, Brandon Lopez, Fangfang Ma, Naser G. A. Mahfouz, Vladimir Makhmutov, Hanna E. Manninen, Guillaume Marie, Ruby Marten, Dario Massabò, Roy L. Mauldin, Bernhard Mentler, Antti Onnela, Tuukka Petäjä, Joschka Pfeifer, Maxim Philippov, Ananth Ranjithkumar, Matti P. Rissanen, Siegfried Schobesberger, Wiebke Scholz, Benjamin Schulze, Mihnea Surdu, Roseline C. Thakur, António Tomé, Andrea C. Wagner, Dongyu Wang, Yonghong Wang, Stefan K. Weber, André Welti,Paul M. Winkler, Marcel Zauner-Wieczorek, Urs Baltensperger, Joachim Curtius, Theo Kurtén, Douglas R. Worsnop, Rainer Volkamer, Katrianne Lehtipalo, Jasper Kirkby,Neil M. Donahue, Mikko Sipilä*, Markku Kulmala*. Iodine Oxoacids Enhance Nucleation of Sulfuric Acid Particles in the Atmosphere. Science. 2023, 382(6676), 1308-1314.

3. Qiaojing Zhao, Hong-Bin Xie*, Fangfang Ma, Wei Nie, Chao Yan, Dandan Huang, Jonas Elm, Jingwen Chen, Mechanism-based Structure-activity Relationship Investigation on Hydrolysis Kinetics of Atmospheric Organic Nitrates. npj Clim. Atmos. Sci. 2023, 6(1), 192.

4. Runlong Cai^#, Rujing Yin^#, Xue Li^#, Hong-Bin Xie*, Dongsen Yang, Veli-Matti Kerminen, James N. Smith, Yan Ma, Jiming Hao, Jingwen Chen, Markku Kulmala, Jun Zheng, Jingkun Jiang*, Jonas Elm, Significant Contributions of Trimethylamine to Sulfuric Acid Nucleation in Polluted Environments. npj Clim. Atmos. Sci. 2023, 6(1), 75.

5. Zihao Fu, Fangfang Ma, Yuliang Liu, Chao Yan, Dandan Huang, Jingwen Chen, Jonas Elm, Yuanyuan Li, Aijun Ding, Lukas Pichelstorfer, Hong-Bin Xie*, Wei Nie*, Joseph S. Francisco*, Putian Zhou*, An Overlooked Oxidation Mechanism of Toluene: Computational Predictions and Experimental Validations. Chem. Sci. 2023, 14(45), 13050–13059.

6. Xue Wang, Rui-Qi Lu, Fang-Fang Ma, Yi-Hong Ding, Hong-Bin Xie*, Xiao Tian*, Quantum chemical mechanism on the depletion of C₃O by oxygen atoms: barrierless to produce CO, Mon. Notices Royal Astron. Soc. 2023, 525(1), 1-5.

7. Xiaojing Li, Qian Xu, Zhishan Liu, Jingwen Chen, Hong-Bin Xie*, Shaoyun Chen*, Jiaxu Liu*, Nonacid Carbon Materials as Catalysts for Monoethanolamine Energy-Efficient Regeneration. Environ. Sci. Technol. 2023, 57(27), 9975-9983.

8. Fangfang Ma, Hong-Bin Xie*, Rongjie Zhang, Lihao Su, Qi Jiang, Weihao Tang, Jingwen Chen, Morten Engsvang, Jonas Elm, Xu-Cheng He*, Enhancement of Atmospheric Nucleation Precursors on Iodic Acid-Induced Nucleation: Predictive Model and Mechanism. Environ. Sci. Technol. 2023, 57(17), 6944-6954.

9. Jakub Kubečka*, Ivo Neefjes, Vitus Besel, Fukang Qiao, Hong-Bin Xie*, Jonas Elm, Atmospheric Sulfuric Acid–Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning. J. Phys. Chem. A. 2023, 127(9), 2091-2103.

10. Deming Xia, Jingwen Chen, Hong-Bin Xie*, Jie Zhong, Joseph S. Francisco*, Counterintuitive Oxidation of Alcohols at Air-Water Interfaces. J. Am. Chem. Soc. 2023, 145, 8, 4791-4799.

11. 刘治山, 马芳芳, 徐倩, 谢宏彬*. 三水铝石矿物颗粒表面吸附芳香族污染物的计算模拟与预测[J]. 环境化学.

12. 蔡雪莹, 付自豪, 谢宏彬*. 分子模拟研究苯酚在大气冰表面的吸附行为[J]. 环境化学, 2023, 42(7): 2262-2272.

13. Jingwen Xue*, Fangfang Ma, Hong-Bin* Xie, Atmospheric Oxidation Mechanism and Kinetics of α-pinene Initiated by·Cl. Huanjing Kexue Xuebao. 2022, 42(12), 262-272.

14. Rongjie Zhang, Hong-Bin Xie*, Fangfang Ma, Jingwen Chen, Siddharth Iyer, Mario Simon, Martin Heinritzi, Jiali Shen, Yee Jun Tham, Theo Kurtén, Douglas R. Worsnop, Jasper Kirkby, Joachim Curtius, Mikko Sipilä, Markku Kulmala, Xu-Cheng He*, Critical Role of Iodous Acid in Neutral Iodine Oxoacid Nucleation. Environ. Sci. Technol. 2022, 56(19), 14166-14177.

15. Jingwen Xue, Fangfang Ma*, Jonas Elm, Jingwen Chen, Hong-Bin Xie*, Atmospheric Oxidation Mechanism and Kinetics of Indole Initiated by ·OH and ·Cl: a computational study. Atmos. Chem. Phys. 2022,22(17), 11543-11555.

16. Yu Liu, Hong-Bin Xie*, Fangfang Ma, Jingwen Chen, Jonas Elm, Amine-Enhanced Methanesulfonic Acid-Driven Nucleation: Predictive Model and Cluster Formation Mechanism. Environ. Sci. Technol. 2022, 56(12), 7751-7760.

17. Zihao Fu, Hong-Bin Xie*, Jonas Elm, Yang Liu, Zhiqiang Fu, Jingwen Chen, Atmospheric Autoxidation of Organophosphate Esters. Environ. Sci. Technol. 2022, 56(11), 6944-6955.

18. Lu Bai, Ying Jiang, Deming Xia, Zongsu Wei, Richard Spinney, Dionysios D. Dionysiou, Daisuke Minakata, Ruiyang Xiao*, Hong-Bin Xie*, and Liyuan Chai. Response to Comment on mechanistic Understanding of Superoxide Radical-Mediated Degradation of Perfluorocarboxylic Acids, Environ. Sci. Technol. 2022, 56(8), 5289-5291.

19. Rongjie Zhang^#, Jiewen Shen^#, Hong-Bin Xie*, Jingwen Chen, Jonas Elm. The Role of Organic Acids in New Particle Formation from Methanesulfonic Acid and Methylamine, Atmospheric Chem. Phys. 2022, 22(4), 2639-2022.

20. Lu Bai, Ying Jiang, Deming Xia, Zongsu Wei, Richard Spinney, Dionysios D. Dionysiou, Daisuke Minakata, Ruiyang Xiao*, Hong-Bin Xie*, Liyuan Chai. Mechanistic Understanding of Superoxide Radical-Mediated Degradation of Perfluorocarboxylic Acids, Environ. Sci. Technol. 2022, 56(1), 624-633.

21. Hong-Bin Xie*, Jonas Elm*, Tri-Base Synergy in Sulfuric Acid-Base Clusters. Atmosphere, 2021, 12(10), 1260.

22. Fangfang Ma, Hong-Bin Xie*, Mingxue Li, Sainan Wang, Renyi Zhang, Jingwen Chen*. Autoxidation Mechanism for Atmospheric Oxidation of Tertiary Amines: Implications for secondary organic aerosol formation, Chemosphere. 2020, 273, 129207.

23. Fangfang Ma, Xirui Guo, Deming Xia, Hong-Bin Xie*, Yonghong Wang, Jonas Elm, Jingwen Chen, and Junfeng Niu, Atmospheric Chemistry of Allylic Radicals from Isoprene: A Successive Cyclization-Driven Autoxidation Mechanism, Environ. Sci. Technol. 2021, 55(8), 4399-4409.

24. Jiewen Shen, Jonas Elm, Hong-Bin Xie*, Jingwen Chen, Junfeng Niu, and Hanna Vehkamäki, Structural Effects of Amines in Enhancing Methanesulfonic Acid-Driven New Particle Formation. Environ. Sci. Technol. 2020, 54(21), 13498-13508.

25. Fangfang Ma, Hong-Bin Xie*, Junwen Chen, Computational Study on Atmospheric Transformation Mechanisms and Kinetics of Volatile Amines. Huanjing Kexue Xuebao. 2020, 65(26), 2863-2879.

26. Zihao Fu, Hong-Bin Xie*, Jonas Elm, Xirui Guo, Zhiqiang Fu, and Jingwen Chen, Formation of Low-Volatile Products and Unexpected High Formaldehyde Yield from the Atmospheric Oxidation of Methylsiloxanes. Environ. Sci. Technol. 2020, 54(12), 7136-7145.

27. Tingting Wang, Hong-Bin Xie*, Zhiquan Song, Junfeng Niu, De-Li Chen, Deming Xia, Jingwen Chen, Role of Hydrogen Bond Capacity of Solvents in Reactions of Amines with CO₂: A computational study. J. Environ. Sci. 2020, 91, 271-278.

28. Yonghong Wang*, Matthieu Riva, Hong-Bin Xie*, Liine Heikkinen, Simon Schallhart, Qiaozhi Zha, Chao Yan, Xu-Cheng He, Otso Peräkylä, Mikael Ehn. Formation of Highly Oxygenated Organic Molecules from Chlorine-atom-initiated Oxidation of Alpha-pinene. Atmos. Chem. Phys. 2020, 20(8), 5145–5155.

29. Xirui Guo, Fangfang Ma, Cong Liu, Junfeng Niu, Ning He, Jingwen Chen, Hong-Bin Xie*. Atmospheric Oxidation Mechanism and Kinetics of Isoprene Initiated by Chlorine Radicals: A Computational Study. Sci. Total Environ. 2020, 712, 136330.

30. Jiewen Shen, Hong-Bin Xie*, Jonas Elm, Fangfang Ma, Jingwen Chen, and Hanna Vehkamäki. Methanesulfonic Acid-driven New Particle Formation Enhanced by Monoethanolamine: A Computational Study. Environ. Sci. Technol. 2019, 53(24), 14387-14397.

31. Cong Liu, Fangfang Ma, Jonas Elm, Zihao Fu, Weihao Tang, Jingwen Chen, Hong-Bin Xie*. Mechanism and Predictive Model Development of Reaction Rate Constants for N-center Radicals with O₂. Chemosphere. 2019, 237, 124411.

32. Zihao Fu, Ning He, Putian Zhou, Hong-Bin Xie*, Zhiqiang Fu, Cong Liu, Jingwen Chen. Grand canonical Monte Carlo Simulation on Adsorption of Aniline on the Ice Surface. J. Mol. Liq. 2019, 290, 111221.

33. Fangfang Ma, Hong-Bin Xie*, Jonas Elm, Jiewen Shen, Jingwen Chen, Hanna Vehkamäki. Piperazine Enhancing Sulfuric Acid-Based New Particle Formation: Implications for the Atmospheric Fate of Piperazine. Environ. Sci. Technol. 2019, 53(15), 8785-8795.

34. 刘聪,马芳芳,付自豪等.·Cl引发3种环状含有NH结构有机化合物的大气转化机制及动力学[J].生态毒理学报, 2019, 14(04):65-72.

35. Fangfang Ma, Zhezheng Ding, Jonas Elm, Hong-Bin Xie*, Qi Yu, Cong Liu, Chao Li, Zhiqiang Fu, Lili Zhang, and Jingwen Chen. Atmospheric Oxidation of Piperazine Initiated by ·Cl: Unexpected High Nitrosamine Yield. Environ. Sci. Technol. 2018, 52, 9801-9809.

36. Fangfang Ma, Hong-Bin Xie*, Jingwen Chen. Benchmarking of DFT functionals for the kinetics and mechanisms of atmospheric addition reactions of OH radicals with phenyl and substituted phenyl-based organic pollutants. Int J Quantum Chem. 2018, 118, e25533.

37. Qi Yu, Hong-Bin Xie*, Tianchi Li, Fangfang Ma, Zihao Fu, Zhongyu Wang, Chao Li, Zhiqiang Fu, Deming Xia and Jingwen Chen. Atmospheric chemical reaction mechanism and kinetics of 1,2-bis(2,4,6-tribromophenoxy)ethane initiated by OH radical: a computational study. RSC Adv., 2017, 7, 9484.

38. Qi Yu, Pan Wang, Fangfang Ma, Hong-Bin Xie*, Ning He, Jingwen Chen. Computational investigation of the nitrosation mechanism of piperazine in CO₂ capture. Chemosphere, 2017, 186, 341-349.

39. Zihao Fu, Ning He, Putian Zhou, Jiaxu Liu, Hong-Bin Xie*, Qi Yu, Fangfang Ma, Zhiqiang Fu, Zhongyu Wang, and Jingwen Chen. Adsorption of Nitrobenzene on the Surface of Ice: A Grand Canonical Monte Carlo Simulation Study. J. Phys. Chem. C 2017, 121, 29, 15746-15755.

40. Hong-Bin Xie, Fangfang Ma, Qi Yu, Ning He, and Jingwen Chen*. Computational Study of the Reactions of Chlorine Radicals with Atmospheric Organic Compounds Featuring NHx−π-Bond (x = 1, 2) Structures. J. Phys. Chem. A 2017, 121, 1657-1665.

41. Hong-Bin Xie*, Jonas Elm, Roope Halonen, Nanna Myllys, Theo Kurteń, Markku Kulmala, and Hanna Vehkamak̈i. Atmospheric Fate of Monoethanolamine: Enhancing New Particle Formation of Sulfuric Acid as an Important Removal Process. Environ. Sci. Technol. 2017, 51, 8422-8431.

42. Qi Yu, Hong-Bin Xie*, Jingwen Chen. Atmospheric chemical reactions of alternatives of polybrominated diphenyl ethers initiated by ·OH: A case study on triphenyl phosphate. Sci. Total Environ.2016, 571, 1105-1114.

43. Hong-Bin Xie*, Pan Wang, Ning He, Xianhai Yang, Jingwen Chen*. Toward rational design of amines for CO₂ capture: Substituent effect on kinetic process for the reaction of monoethanolamine with CO₂. J Environ. Sci. 2015, 37, 75 - 82.

44. Hong-Bin Xie, Fangfang Ma, Yuanfang Wang, Ning He, Qi Yu, and Jingwen Chen*. Quantum Chemical Study on ·Cl-Initiated Atmospheric Degradation of Monoethanolamine. Environ. Sci. Technol. 2015, 49, 22, 13246-13255

45. Hong-Bin Xie, Xiaoxuan Wei, Pan Wang, Ning He, and Jingwen Chen*. CO₂ Absorption in an Alcoholic Solution of Heavily Hindered Alkanolamine: Reaction Mechanism of 2-(tert-Butylamino)ethanol with CO₂ Revisited. J. Phys. Chem. A. 2015, 49, 22, 13246-13255.

46. Hong-Bin Xie, Ning He, Zhiquan Song, Jingwen Chen*, and Xuehua Li. Theoretical Investigation on the Different Reaction Mechanisms of Aqueous 2-Amino-2-methyl-1-propanol and Monoethanolamine with CO₂. Ind. Eng. Chem. Res. 2014, 53, 8, 3363-3372.

47. Hong-Bin Xie, Chao Li, Ning He, Cheng Wang, Shaowen Zhang, and Jingwen Chen*. Atmospheric Chemical Reactions of Monoethanolamine Initiated by OH Radical: Mechanistic and Kinetic Study. Environ. Sci. Technol. 2014, 48, 3, 1700-1706.