Argonne National Laboratory

Cong Liu

Assistant Chemist

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., 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 National Laboratory
2013-2016     Argonne Scholar, Materials Science Division, Argonne National Laboratory

  • Design of transition metal nanocatalysts for chemical and electrochemical CO2 reduction and water splitting
  • Computational studies of catalytic biomass conversion to fuels using zeolites
  • Computational studies of metal-ion doped lithium manganese oxide materials for Li-ion batteries
  • Development of single-site heterogeneous catalysts for alkane functionalization
  • Development of composite nanomaterials for Li-O2 and Li-S batteries
  • Design of intermetallic metal nanoparticles for fuel cell applications

2009-2013      Research Assistant, University of North Texas
Dissertation: “Transition Metal Mediated C–O Bond Cleavage: From CO2 Activation to Lignin Degradation”

  • CO2 reactivity with homogeneous and heterogeneous transition metal catalysts
  • Computational studies of catalytic lignin degradation using transition metal complexes
  • Computational drug design
  • Performance of density functional theory (DFT) methods on transition metal catalysis

Current Projects

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. 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.

2. P. Abbasi, M. Asadi, C. Liu, S. S. Sharifi-Asl, A. Behranginia, B. Sayahpour, P. Zapol, R. S. Yassar, L. A. Curtiss, A. Salehi-Khojin. Tailoring the Edge Structure of Molybdenum Disulfide toward Electrocatalytic Reduction of Carbon Dioxide. ACS Nano, 201711 (1), 453.

3. Z.Qi, C. Xiao, C. Liu, T. W. Goh, L. Zhou, R. Maligal-Ganesh, Y. Pei, X. Li, L. A. Curtiss, and W. Huang. Sub-4 nm PtZn Intermetallic Nanoparticles for Enhanced Mass and Specific Activities in Catalytic Electro-Oxidation Reaction. J. Am. Chem. Soc. 2017, 139 (13), 4762.

4. 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 2016, 353, 467.

5. A. Behranginia, M. Asadi, C. Liu, P. Yasaei, B. Kumar, P. Phillips, T. Foroozan, J. C. Waranius, J. Abiade, R. F. Klie, L. A. Curtiss, A. Salehi-Khojin. Highly Efficient Hydrogen Evolution Reaction Using Crystalline Layered Three Dimensional Molybdenum Disulfides Grown on Graphene Film. Chem. Mater. 2016, 28, 549.

6. C. Liu, B. Yang, E. Tyo, S. Seifert, J. E. Ernst, B. von Issendorff, P. Zapol, S. Vajda, L. A. Curtiss. Carbon Dioxide Conversion to Methanol over Size-selected Cu4 Clusters at Low Pressures. J. Am. Chem. Soc. 2015, 137, 8676.

7. C. Liu, T. J. Evans, L. Cheng, M. R. Nimlos, C. Mukarakate, D. J. Robichaud, R. S. Assary, L. A. Curtiss. Catalytic Upgrading of Biomass-Derived Compounds via C-C Coupling Reactions: Furan and Acetaldehyde Reactions in HZSM-5. J. Phys. Chem. C. 2015, 119 (42), 24025

8. C. Liu, T. R. Cundari, A. K. Wilson. Periodic Trends in 3d Metal Mediated CO2 Activation. Applications of Molecular Modeling to Challenges in Clean Energy. January 1, 67, 2013.

9. C. Liu, C. Peterson, A. K. Wilson. C-O Bond Cleavage of Dimethyl Ether by Transition Metal Ions: A Systematic Study on Catalytic Properties of Metals and Performance of DFT Functionals. J. Phys. Chem. A, 2013, 117, 5140.

10. C. Liu, T. R. Cundari, A. K. Wilson. Reduction of CO2 to CO on Transition Metal Surfaces: In Comparison with Homogeneous Catalysis. J. Phys. Chem. C, 2012, 116, 5681.