李明雪
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个人信息Personal Information
助理教授
硕士生导师
性别:女
毕业院校:山东大学
学位:博士
所在单位:环境学院
办公地点:环境学院A109
电子邮箱:
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个人简介Personal Profile
李明雪,博士,助理教授,硕士生导师。2018年获大连理工大学学士学位,2023年获山东大学博士学位,2023年至2025年赴香港理工大学开展博士后研究。2026年入职大连理工大学。主要从事环境化学计算、模拟和预测研究。
欢迎对计算化学感兴趣的同学报考研究生,或以大学生创新项目、毕业设计等形式开展相关课题研究。
代表论著Representative Works
- [论文]Mingxue Li.Tao Wang.Men Xia,Chunshui Lin,Yifan Jiang,Weihang Sun,Yurun Wang,Yingnan Zhang,Maoxia He.Mechanistic insights into chloroacetic acid production from atmospheric multiphase volatile organic compound–chlorine chemistry,Atmospheric Chemistry and Physics,2025,25(6):3753–3764
- [论文]Qingyuan Gu,Mingxue Li.Maoxia He.Yanru Huo,Yuxin Zhou,Yuhui Ma,Nuan Wen.Radical and non-radical pathways of organic arsenic removal in the heterogeneous peroxymonosulfate (PMS) activation system: A DFT study,Journal of Cleaner Production,2025,525:146611
- [论文]Siqi Deng,Zhengqiang Yang.Mingxue Li,Haijie Cao.Xinyi Yu.The reactivity of organic radicals in the performic, peracetic, perpropionic acids-based advanced oxidation process: A case study of sulfamethoxazole,Journal of Hazardous Materials,2024,476:135033
- [论文]Linan Shen,Xinyi Yu.Mingxue Li,Haijie Cao.Siqi Deng.The in-situ generation of ClO• by single- and dual-atom catalysis of chloride ions to degrade sulfonamide antibiotics: A DFT study,Chemical Engineering Journal,2024,485:149719
- [论文]Mingxue Li.Zhehui Jin,Maoxia He.Pijun Duan,Yanru Huo,Jinchan Jiang,Yuxin Zhou,Yuhui Ma,Qiong Mei,Ju Xie.The multiple roles of phenols in the degradation of aniline contaminants by sulfate radicals: A combined study of DFT calculations and experiments,Journal of Hazardous Materials,2023,443:130216
- [论文]Mingxue Li.Maoxia He.Zexiu An,Yanru Huo,Jinchan Jiang,Yuxin Zhou,Haijie Cao.Simulation degradation of bromophenolic compounds in chlorine-based advanced oxidation processes: Mechanism, microscopic and apparent kinetics, and toxicity assessment,Chemosphere,2022,291:133034
- [论文]Mingxue Li.Maoxia He,Qiao Wang.Jianfei Sun,Qiong Mei,Bo Wei,Zexiu An,Haijie Cao,Chao Zhang,Ju Xie,Jinhua Zhan,Wenxing Wang.Acetaminophen degradation by hydroxyl and organic radicals in the peracetic acid-based advanced oxidation processes: Theoretical calculation and toxicity assessment,Journal of Hazardous Materials,2021,416:126250
- [论文]Mingxue Li.Maoxia He.Qiong Mei,Dandan Han,Bo Wei,Zexiu An,Haijie Cao,Ju Xie.The roles of HO•, ClO• and BrO• radicals in caffeine degradation: A theoretical study,Science of The Total Environment,2021,768:144733
- [论文]Mingxue Li.Maoxia He.Jianfei Sun,Dandan Han,Bo Wei,Qiong Mei,Zexiu An,Xueyu Wang,Haijie Cao,Ju Xie.Theoretical investigation on the contribution of HOradical dot, SO4radical dot- and CO3radical dot- radicals to the degradation of phenacetin in water: Mechanisms, kinetics, and toxicity evaluation,Ecotoxicology and Environmental Safety,2020,204:110977
- [论文]Mingxue Li.Zhehui Jin,Maoxia He.Zexiu An,Yanru Huo,Jinchan Jiang,Yuxin Zhou,Haijie Cao,Ju Xie,Jinhua Zhan.Individual and combined degradation of N-heterocyclic compounds under sulfate radical-based advanced oxidation processes,Chemical Engineering Journal,2022,442:136316
- [论文]Mingxue Li,Mengjie Chang.Chao Zhang,Maoxia He.Mingyang Li,Zexiu An,Jian Liu.Ozone mechanism, kinetics, and toxicity studies of halophenols: Theoretical calculation combined with toxicity experiment,Science of The Total Environment,2023,858:160101
