姓名：李坦
职称：讲师
研究领域：1）基于DFT模拟光/电催化能源分子转化机制
2）新能源材料设计（锂电池、燃料电池、超级电容器等）
3）可解释AI+材料合成+催化机制探索
4）信息物质学
联系方式：[email protected]
个人简介：
李坦，男，硕士生导师。2012年本科毕业于南京工业大学，2019年博士毕业于太原理工大学，师从樊彩梅教授。2019年至2022年在华南理工大学从事博士后研究工作，合作导师为陈光需教授。2023年1月入职黑料不打烊
工作。入选2023年“兴滇英才支持计划”青年人才专项。主要从事光/电催化机理及可解释AI驱动新能源材料设计的研究工作。截至目前，已在Nature（共一）、Angew. Chem.、ACS Energy Lett.、ACS Catal.、Adv. Funct. Mater、Nano Lett、Energy Stor. Mater.、Biosensors and Bioelectronics、Appl. Catal. B、AIChE Journal等国际学术期刊上发表论文58篇，以一作/共一、通讯发表论文33篇。文章被引2000余次，ESI高被论文3篇，H-index 25。
主持研究项目：
CO2活化中电子描述符体系的构建，云南省基础研究专项－面上项目。
碳基能源分子选择性转化位点构筑中电子描述符的开发及应用，云南省基础研究专项－青年项目。
电催化丙烷氧化脱氢在气/固/液三相界面反应器件中的选择性机制研究，第68批中国博士后面上项目。
机器学习助力电催化丙烷脱氢高效选择性活性位点构筑机制的研究，广东省区域联合基金-青年基金项目。
黑料不打烊
高层次人才引进项目。
代表性论文：
1、Qingshuai Xu#, Tan Li#(共一), Zhijin Ju#, Guangxu Chen, Daiqi Ye, Geoffrey I. N. Waterhouse, Yingying Lu, Xuejun Lai, Guangmin Zhou, Lin Guo*, Keyou Yan*, Xinyong Tao*, Hong Li*, Yongcai Qiu. Li2ZrF6-based electrolytes for durable lithium metal batteries[J]. Nature, 2025, 637(8045): 339-346.
2、Li Zheng, Lantong Gou, Xiandong Hao, Zhiyong Xu, Bo Wang*, Tan Li*(通讯), Wenbo Zhao*. Kinetic and thermodynamic analysis of NO absorption by a non-aqueous complexing absorbent of ferrous chloride/1-butyl-3-methylimidazolidinimide dicyanamide[J]. Chemical Engineering Journal, 2026, 529: 172767.
3、Yushun Chen, Zhiyong Xu, Tan Li*(通讯), Wenbo Zhao*. AILD: An Interpretable AI Framework for Designing Logical Descriptors in Predicting CO Adsorption on Catalysts[J]. The Journal of Physical Chemistry A, 2026, 130(1): 332–341.
4、Yuqing Feng, Yushun Chen, Zhiyong Xu, Tan Li*(通讯), Wenbo Zhao*. Logical Descriptor Elucidates a Protein Folding-like Mechanism in Propylene Adsorption: Intrinsic Site Characteristics versus Adsorption Energy[J]. The Journal of Physical Chemistry C, 2025.
5、Feng Yuqing , Yushun Chen , Zheng Li , Xuetao Chen , Tan Li*(通讯), Wenbo Zhao*. Descriptors construction and application in catalytic site design[J]. Iscience, 2025, 28(8): 113080.
6、Li-Han He# , Tan Li#(共一) , Hao Hu , Peng Fei Xie , Li Jin Cheng*. Understanding the Three-Shell Coordination Structure–Performance Relationship of Single-Atom Sites for Oxygen Reduction Using Molecular Model Catalysts[J]. ACS Catalysis, 2025, 15(15): 13391-13400.
7、Qizhen Qin, Tan Li*(通讯), Xuehao Sun, An Pei, Yanyan Jia*, Hongpeng He, Fan Gao. Peng Wang, Qiqi Wu, Renfeng Liu, Sheng Dai, Haixin Lin, Qingfeng Zhang*, Yun Zhao, Guangxu Chen*. Unveiling the Gold Facet Effect in Selective Oxidation of 5-Hydroxymethylfurfural and Hydrogen Production. Nano Letters, 2024,. 2024, 24(51), 16351–16359.
8、Cheng Yuan, Qiqi Wu, Ke-Xin Xu, Xing-Shi Liu, Hao Lou, Yi-Tong Xu, Zheng Li, Yuanyuan Meng, Tan Li*(通讯), Rui Ban, Guangxu Chen*, Wei-Wei Zhao*. Metal-organic polymer enables efficient organic photoelectrochemical transistor biosensing[J]. Biosensors and Bioelectronics, 2024, 257: 116346.
9、Jinping Zhong#, Zheng Yin#, Tan Li#(共一), Yikui Zeng, Fada Feng, Quanming Ren, Dengfeng Yan, Tao Dong, Yuanyuan Meng, Haibao Huang*, Daiqi Ye*. Mechanistic insight into the mutual-effect and key intermediate during methanol accelerating toluene decomposition over Co-spinel catalyst revealed by PTR-TOF-MS and DFT calculation[J]. Applied Catalysis B: Environment and Energy, 2024: 124075.
10、 Biao Zhou, Kezhou Fan, Yanan Chong, Shuang Xu, Jianwu Wei, Jiake Wei, Aleksandr A. Sergeev, Kam Sing Wong, Tan Li*(通讯), Guangxu Chen*, Daiqi Ye*, and Keyou Yan*. Modulating Adsorption–Redox Sites and Charge Separation of Cs3Bi2Br9–x@ AgBr Core–Shell Heterostructure for Selective Toluene Photooxidation[J]. ACS Energy Letters, 2024, 9: 1743-1752.
11、 Qingshuai Xu, Xuejun Lai, Gaige Zhang, Tan Li*(通讯), Yongcai Qiu*. Tailoring the passivation layer on lithium metal anode and aluminum collector by regulating the solvation structure to enhance the long-term cycling of lithium metal batteries[J]. Chemical Engineering Journal, 2024, 480: 148021.
12、 Jinyu Wang, Bo Wang, Zulong Wen, Ning Zhao, Tan Li*(通讯), and Wenbo Zhao*. Adsorption Process Optimization and Adsorbent Evaluation Based on Langmuir Isotherm Model[J]. Langmuir, 2023, 39(46): 16404-16414.
13、 Tan Li#, Qingshuai Xu#, Moaz Waqar, Haitao Yang, Wenbin Gong, Jie Yang*, Jun Zhong*, Zhaolin Liu*. Millisecond-Induced Defect Chemistry Realizes High-Rate Fiber-Shaped Zinc-Ion Battery as A Magnetically Soft Robot. Energy Storage Materials, 2023(55): 64-72
14、 Peng Wang#, Tan Li#(共一), Qiqi Wu, Ruian Du, Qinghua Zhang, Wei-Hsiang Huang, Chi-Liang Chen, Yan Fan, Haonan Chen, Yanyan Jia, Sheng Dai, Yongcai Qiu, Keyou Yan, Yuanyuan Meng, Geoffrey I. N. Waterhouse, Lin Gu,* Yun Zhao,* Wei-Wei Zhao,* and Guangxu Chen*. Molecular Assembled Electrocatalyst for Highly Selective CO2 Fixation to C2+ Products. ACS Nano, 2022, 16(10): 17021-17032.
15、 Jie Yang#, Haitao Yang#, Changchun Ye, Tan Li* (通讯), Guangxu Chen, Yongcai Qiu*. Conformal Surface-Nanocoating Strategy to Boost High-Performance Film Cathodes for Flexible Zinc-ion Batteries as An Amphibious Soft Robot. Energy Storage Materials, 2022, 46, 472-481 .
16、 Zhenghui Pan#, Lixing Kang#, Tan Li# (共一), Moaz Waqar, Jie Yang*, Qilin Gu, Ximeng Liu, Zongkui Kou, Zhao Wang, Lirong Zheng*, and John Wang*. Black Phosphorus@ Ti3C2Tx MXene Composites with Engineered Chemical Bonds for Commercial-Level Capacitive Energy Storage. ACS nano, 2021, 15(8): 12975-12987
17、 Ruian Du, Tan Li*(通讯), Qiqi Wu, Peng Wang, Xianfeng Yang, Yan Fan, Yongcai Qiu, Keyou Yan, Pei Wang, Yun Zhao*, Wei-Wei Zhao* and Guangxu Chen*. In Situ Engineering the Cu+/Cu0 Interface on Oxide-derived Cu Catalyst to Boost C2+ Selectivity in CO2 Electroreduction. ACS Applied Materials & Interfaces, 2022, 14(32): 36527–36535.
18、 Tan Li, Xiaochao Zhang*, Changming Zhang, Rui Li, Jianxin Liu, Peide Han, Caimei Fan*. Thermodynamic and kinetic studies on •OH-involved photo-decarboxylation mechanism for waste cooking oils to biofuels. Fuel, 2019, 254: 115665.
19、 Tan Li, Xiaochao Zhang, Changming Zhang, Rui Li, Jianxin Liu, Rui Lv, Hui Zhang, Peide Han, Caimei Fan*, Zhanfeng Zheng. Theoretical insights into photo-induced electron transfer at BiOX (X= F, Cl, Br, I)(001) surfaces and interfaces. Physical Chemistry Chemical Physics, 2019, 21(2): 868-875.
20、 李坦 张小超* 王凯 李瑞 樊彩梅*. α, β, γ, δ, ε, η-Bi2O3 电子结构和光学性质的第一性原理研究. 高等学校化学学报, 2016, 37(5): 920-927.
