Qingfeng Ge | Chemistry and Biochemistry | SIU

Qingfeng Ge

Professor, Distinguished Scholar and Director

Understanding complex systems at the molecular level is important but difficult using experiments alone. Computer simulations based on fundamental physical and chemical principles can complement experiments and provide new insights into the behavior of these systems. My research program is centered on the investigation of the molecular processes that govern materials processing and catalytic properties with applications in clean energy and sustainable development. State-of-the-art theoretical methods combined with molecular simulations are employed in our research. 

Education

B.S., Tianjin University, 1985
M.S., Tianjin University, 1988
Ph.D., Tianjin University, 1991
Postdoc, Copenhagen University, 1991-1994
Postdoc, University of Cambridge, 1994-1999
Research Scientist, University of Virginia, 1999-2003

Awards

University Level Outstanding Scholar Excellence Award, 2018.
ACS Midwest Award, 2018.
College of Science Scholar Excellence Award, 2017.

Selected Publications

Ye, J. & Ge, Q. Metal/metal-oxide interface catalysed thermal and electrochemical CO₂ conversion: a perspective from DFT-based studies, Chem. Comm. 59, 8488-8503 (2023).

Masood, Z. & Ge, Q. Electrochemical reduction of CO₂ at the earth-abundant transition metal-oxides/copper interfaces, Catal. Today 409, 53-62 (2023).

Liu, Q.; Peng Y.; Masood, Z.; Dubois, D.; Tressel J.; Nichols, F; Ashby, P.; Mercado, R.; Assafa, T.; Pan, D.; Kuo, H.-L.; Lu, J. Q.; Bridges, F.; Milhauser, G.; Ge, Q. & Chen, S. Stable Cuprous Hydroxide Nanostructures by Organic Ligand Functionalization, Adv. Mater. 35, 2208665 (2023).

Tabassum, H.; Mukherjee, S., Chen, J.; Holiharimanana, D.; Karakalos, S.; Yang, X.; Hwang, S.; Zhang, T.; Lu, B.; Chen, M.; Zhong, T.; Kyriakidou, E.; Ge, Q. & Wu, G. Hydrogen Generation via Ammonia Decomposition on Highly Efficient and Stable Ru-free Catalysts: Approaching Complete Conversion at 450 ^oC, Energy Environ. Sci. 15, 4190-4200 (2022).

Yu, G.; Wu, Y.; Cao, H.; Ge, Q.; Dai, Q.; Sun, Y. & Xie, Y.; Insight into mechanism of ozone activation and singlet oxygen generation on N-doped defective nanocarbons: a DFT and machine learning study, Environ. Sci. Technol. 56, 12, 7853–7863 (2022).

Yu, G.; Xie, Y.; Ge, Q.; Dai, Q.; Xu, J. & Cao, H. Mechanism of ozone adsorption and activation on B-, N-, P-, and Si-doped graphene: A DFT study, Chem Eng. J. 430, 133114 (2022).

Masood, Z. & Ge, Q. Electrochemical reduction of CO₂ to CO and HCOO⁻ using metal–cyclam complex catalysts: predicting selectivity and limiting potential from DFT, Dalton Trans. 50, 11446-11457 (2021).

Zhang, D; Chen, J.; Hao, Z.; Jiao, L.; Ge, Q.; Fu, W.F. & Lv, X.J. Highly efficient electrochemical hydrogenation of acetonitrile to ethylamine for primary amine synthesis and promising hydrogen storage, Chem Catal. 1, 393-406 (2021).

Zhang, S.; Li, M.; Li, L.; Dushimimana, F.; Zhao, J.; Wang, S.; Han, J.; Zhu, X.; Liu, X.; Ge, Q. & Wang, H. Visible-Light-Driven Multichannel Regulation of Local Electron Density to Accelerate Activation of O–H and B–H Bonds for Ammonia Borane Hydrolysis. ACS Catal. 10, 14903-14915 (2020).

Zhao, Y.; Wang, H.; Han, J.; Zhu, X.; Mei, D. & Ge, Q. Simultaneous activation of CH₄ and CO₂ for concerted C-C coupling at oxide-oxide interface. ACS Catal. 9, 3187-3197 (2019).

Yuan, H.; Zhu, X.; Han, J.; Wang, H. & Ge, Q. “Rhenium-promoted Selective CO₂ Methanation on Ni-based Catalyst”, J. CO₂ Util. 26, 8-18 (2018).

Tang, M. & Ge, Q. Mechanistic Understanding on Oxygen Evolution Reaction on γ-FeOOH (010) in Alkaline Solution Based on DFT Computational Study, Chin. J. Catal. 38, 1621-1628 (2017).

Zhao, Y.; Cui, C.; Han, J.; Wang, H.; Zhu, X. & Ge, Q. Direct C-C Coupling of CO₂ and the Methyl Group from CH₄ Activation Through Facile Insertion of CO₂ into Zn-CH₃ σ-bond, J. Am. Chem. Soc., 138, 10191-8 (2016).

Li, G.; Han, J.; Wang, H.; Zhu, X. & Ge, Q. Role of Dissociation of Phenol in Its Selective Hydrogenation on Pt(111) and Pd(111), ACS Catal. 5, 2009-2016 (2015).

Ye, J.; Liu, C.-j.; Mei, D. & Ge, Q. Methanol Synthesis from CO₂ Hydrogenation over a Pd₄/In₂O₃ Model Catalyst: A Combined DFT and Kinetic Study, J. Catal. 317, 44-53 (2014).

Ye, J.  Liu, C.J. ; Me, D. & Ge, Q.  Active Oxygen Vacancy Site for Methanol Synthesis from CO₂ Hydrogenation on In₂O₃(110): A DFT Study.  ACS Catal. 3, 1296-1306 (2013).