致力于利用自主研制与搭建的质谱、光谱装置，原位监测与表征气相团簇（如金属团簇）及能源小分子（如 CH₄, CO₂）的基元反应动力学，并结合理论计算，模拟催化活性位点，揭示其微观反应机理。

2009-09 至 2013-07, 郑州大学, 化学, 学士

2013-09 至 2018-06，中国科学院化学研究所，物理化学，博士

2016-09 至 2017-09, 美国科罗拉多大学博尔德分校, 物理化学, 博士联合培养

2018-09 至 2021-09, 德国莱比锡大学和马普学会弗里茨-哈伯研究所 博士后（洪堡学者）

2021-10 至 2023-07, 郑州大学, 化学学院, 直聘研究员

2023-08 至 今, 西安交通大学, 物理学院, 特聘研究员（副教授）

国家自然科学基金青年项目(30万)、陕西数理基础科学研究项目（8万）、西安交通大学“青年拔尖人才支持计划”（100万）等

(1) Ya–Ke Li, Fabian Müller, Wieland Schöllkopf, Knut R Asmis, and Joachim  Sauer. Gas Phase Mechanism of O•−/Ni2+-mediated Methane Conversion to Formaldehyde. Angew. Chem. Int. Ed. 2022, 61, e202202297.

(2) Ya–Ke Li, Sreekanta Debnath, Maria Schlangen, Wieland. Schöllkopf, Knut R. Asmis and Helmut Schwarz. Direct Identification of Acetaldehyde Formation and Characterization of the Active Site in the [VPO4]•+/C2H4 Couple By Gas-Phase Vibrational Spectroscopy. Angew. Chem. Int. Ed. 2019, 58，18868-18872.

(3) Ya–Ke Li, Zhen Yuan, Yan-Xia Zhao, Chongyang Zhao, Qing-Yu Liu, and Sheng-Gui He. Thermal Methane Conversion to Syngas Mediated by Rh1‒Doped Aluminum Oxide Cluster Cations RhAl3O4+. J. Am. Chem. Soc. 2016, 138, 12854−12860.

(4) Ya–Ke Li, Zhe-Chen Wang, Sheng-Gui He and Veronica M. Bierbaum. Reactions of Sulfur and Oxygen Containing Anions with Hydrogen Atoms: A Comparative Study. J. Phys. Chem. Lett. 2017, 8, 5725−5729.

(5) Ya-Ke Li, Jianzhi Xu, Jiaye Jin, Jia Han, and Gao-Lei Hou CO2 Hydrogenation to Formic Acid by a Molecular Catalyst [B12X11]− (X = F, Cl, Br, and I). J. Phys. Chem. A 2025, 129, 4990−4996.

(6) Ruomeng Li, Ya-Ke Li,* Jianzhi Xu and Gao-Lei Hou Direct reduction of NO into N2 catalyzed by fullerene-supported rhodium clusters. Phys. Chem. Chem. Phys., 2024, 26, 15332.

(7) Ya–Ke Li, Zi-Yu Li, Yan-Xia Zhao, Qing-Yu Liu, Jing-Heng Meng, and Sheng-Gui He. Activation and Transformation of Ethane by Au2VO3+ Clusters with Closed-Shell Electronic Structures. Chem. Eur. J. 2016, 22, 1825–1830.

(8) Ya-Ke Li,* Chu-Man Sun, Gong-Ping Wei, Sheng-Gui He, Knut R. Asmis, and Shuang-Quan Zang. Thermal Methane Conversion to Formaldehyde Mediated by NiAlO3+ in the Gas Phase; J. Phys. Chem. A, 2023, 127, 1636−1641.

(9) Ya–Ke Li,# Mark C Babin,# Sreekanta Debnath, Takeshi Iwasa, Sonu Kumar, Tetsuya Taketsugu, Knut R Asmis, Andrey Lyalin, Daniel M Neumark. Structural characterization of nickel-doped aluminum oxide cations by cryogenic ion trap vibrational spectroscopy, J. Phys. Chem. A 2021, 125, 9527-9535.

(10) Ya–Ke Li, Yan-Xia Zhao, and Sheng-Gui He. Methane Activation and Conversion by Rh1-Doped Aluminum Oxide Cluster Anions RhAl2O4‒: A Comparison with the Reactivity of PtAl2O4‒. J. Phys. Chem. A 2018, 122, 3950-3955.