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Cong Liu



Cong Liu is a research chemist in the Catalysis Science Group of the Chemical Sciences and Engineering Division at Argonne. Her research interests are computational catalysts/materials design for energy conversion and storage, development of computational methods and models for complex catalytic systems, and development of high-level quantum mechanical methods for solid-state catalysis.

B.S., Applied Chemistry, Shenyang University of Chemical Technology, 2007        
Ph.D., Physical Chemistry, University of North Texas, 2013

Research and Professional Experience 
2016-present    Assistant Chemist, Chemical Sciences and Engineering Division, Argonne
2013-2016     Argonne Scholar, Materials Science Division, Argonne     
2009-2013      Research Assistant, University of North Texas

Current Projects 
Tunable Single-Site Catalysts for Selective Functionalization of Alkanes 





- Computational Studies of Lithium Oxygen and Lithium Sulfur Batteries






Awards and Honors 
- Argonne Director’s Fellowship, Argonne National Laboratory, 2013
- Chemical Computing Group (CCG) Research Excellence Award, 243th American Chemical Society National Meeting, 2012    
- Thesis and Dissertation Fellowship, University of North Texas, 2012
- Outstanding International Graduate Student, University of North Texas, 2013
- Ed and Julia Hodges Memorial Scholarship for Outstanding Graduate Research, University of North Texas, 2012  
- Graduate Research Assistant Tuition Scholarship, University of North Texas, 2011

Selected Publications (full list: Google Scholar

  1. C. Plascencia, L. A. Curtiss, C. Liu. Computational Studies of Silica Supported Metal Ions for Hydrogen Activation: Catalytic Properties of Metals and Performance of DFT Functionals. J. Phys. Chem. A 2019, 123 (1), 171.
  2. Z. H. Syed, D. M. Kaphan, F. A. Perras, M. Pruski, M. S. Ferrandon, E. C. Wegener, G. Celik, J. Wen, C. Liu, F. Dogan, K. I. Goldberg, M. Delferro. Electrophilic Organoiridium(III) Pincer Complexes on Sulfated Zirconia for Hydrocarbon Activation and Functionalization. J. Am. Chem. Soc. 2019, 141(15), 6325.
  3. Y. A. Wu, I. McNulty, C. Liu, K. C. Lau, Q. Liu, A. P. Paulikas, C.-J. Sun, Z. Cai, J. R. Guest, Y. Ren, V. Stamenkovic, L. A. Curtiss, Y.  Liu, T. Rajh. Facet-Dependent Active Sites of a Single Cu2O Particle Photocatalyst for CO2 Reduction to Methanol. Nat. Ener. 2019, 4, 957.
  4. W. Yao, Y. Yuan, G. Tan, C. Liu, M. Cheng, V. Yurkiv, X. Bi, F. Long, C. R. Friedrich, F. Mashayek, K. Amine, J. Lu, R. Tuning Li2O2 Formation Routes by Facet Engineering of MnO2 Cathode Catalysts. J. Am. Chem. Soc. 2019, 141(32), 12832.
  5. G. Tan, L. Chong, C. Zhan, J. Wen, L. Ma, Y. Yuan, X. Zeng, F. Guo, J. E. Pearson, T. Li, T. Wu, D. Liu, R. Shahbazian-Yassar, J. Lu, C. Liu, K. Amine. Insights into Structural Evolution of Lithium Peroxides with Reduced Charge Overpotential in Li−O2 System. Adv. Energy Mater. 2019, 1900662.
  6. M. Asadi, M. H. Motevaselian, T. V. Sun, C. Liu, P. Abbasi, A. Moradzadeh, P. Zapol, A. Khodadoust, L. A. Curtiss, N. R. Aluru, A. Salehi-Khojin. CO2 Photo-reduction at 23% Efficiency Using Inexpensive and Earth Abundant Catalytic System. Adv. Energy Mater. 2019, 9, 1803536.
  7. M. Asadi, B. Sayahpour, P. Abbasi, A. T. Ngo, K. Karis, J. R. Jokisaari, C. Liu, B. Narayanan, M. Gerard, P. Yasaei, X. Hu, A. Mukherjee, K. Chun Lau, R. S. Assary, F. Khalili-Araghi, R. F. Klie, L. A. Curtiss, A. Salehi-Khojin. Enabling Operation of Lithium-Oxygen Batteries with Long Cycle Life in a Realistic Air Atmosphere. Nature 2018, 555, 502. 
  8. C. Liu, J. Camacho-Bunquin, M. Ferrandon, A. Savara, H. Sohn, D. Yang, D. Kaphan, P. Anne Ignacio-de Leon, S. Liu, U. Das, B. Yang, A. S. Hock, P. C. Stair, L. A. Curtiss, and M. Delferro. Development of Activity-Descriptor Relationships for Supported Metal Ion Hydrogenation Catalysts on Silica. Polyhedron 2018152, 73-83. 
  9. R. C. Klet, D. M. Kaphan, C. Liu, F. A. Perras, M. Pruski, A. S. Hock, M. Delferro. Evidence for Redox Mechanisms in Organometallic Chemisorption and Reactivity on Sulfated Metal Oxides. J. Am. Chem. Soc. 2018, 140 (20), 6308–6316.
  10. M. Asadi, K. Kim, C. Liu, V. A. Addepalli, P. Phillips, P. Abbasi, A. Behranginia, P. Yasaei, R. Haasch, P. Zapol, B. Kumar,  R. F. Klie, J. Abiade, L. A. Curtiss, A. Salehi-Khojin. Nanostructured Transition Metal Dichalcogenide Electrocatalysts for CO2 Reduction in Ionic Liquid. Science 2016353, 467.