Ping Liu

Brookhaven National Laboratory

Chemistry Division
Bldg. 555
P.O. Box 5000
Upton, NY 11973-5000

(631) 344-5970
pingliu3@bnl.gov

Research | Education | Appointments | Publications | Highlights | Awards

Research Activities

Catalysis: Reactivity and Structure

Research interests

Theoretical description of diverse materials (metal, metal oxide, carbide, sulfide, phosphide) in various forms (nanostructures, supported nanostructures, surfaces) and their applications with a focus on energy production, conversion and storage. The current research focuses on the heterogeneous catalysts for production of fuels from greenhouse gases (carbon dioxide, methane), electrocatalysts involved in fuel cells which convert the chemical energy to electricity and battery materials for storage of electricity. Density functional calculations, kinetic modeling and sensitivity analysis are employed to obtain a fundamental understanding of how the materials function and provide guidance for design of advanced catalysts using the machine-learning based methods.

Education

• B.S.(Material Science & Engineering) Jilin University, P. R. China (June,1994)
• M.S.(Condensed Matter Physics) Jilin University, P. R. China (June, 1997)
• Ph.D.(Condensed Matter Physics) Jilin University, P. R. China (March, 2000)
• Postdoctoral fellow, Technical University of Denmark, Denmark (2000 - 2002)
• Research Associate, Brookhaven National Laboratory, USA (2002 - 2005)

Professional Appointments

• Assistant Chemist, Brookhaven National Laboratory, USA (2005 - 2007)
• Associate Chemist, Brookhaven National Laboratory, USA (2007 - 2010)
• Chemist, Brookhaven National Laboratory, USA (2010 - 2011)
• Senior Chemist with Tenure, Brookhaven National Laboratory, USA (2011 - 2024)
• Distinguished Chemist, Brookhaven National Laboratory, USA (2024 - present)
• Adjunct Professor, Chemistry Department, SUNY Stony Brook, USA (2015-present)

Selected Publications

• Liao W, Nguyen A, Liu P (2025) Alkali-induced catalytic tuning at metal and metal oxide interfaces. Chemical Society Reviews 54:4164–4182. https://doi.org/10.1039/d4cs01094a
• Zhang H, Liu P (2025) Fine-tuning catalytic selectivity by modulating catalyst-environment interactions: CO2 hydrogenation over Pd-based catalysts. Chem Catalysis 5:101156. https://doi.org/10.1016/j.checat.2024.101156
• Yuan Y, Mou T, Hwang S, et al (2025) Controlling Reaction Pathways of Ethylene Hydroformylation Using Isolated Bimetallic Rhodium–Cobalt Sites. Journal of the American Chemical Society 147:12185–12196. https://doi.org/10.1021/jacs.5c01105
• Mou T, Bushiri DA, Esposito DV, et al (2024) Rationalizing Acidic Oxygen Evolution Reaction over IrO2: Essential Role of Hydronium Cation. Angewandte Chemie International Edition 63:. https://doi.org/10.1002/anie.202409526
• Islam A, Huang E, Tian Y, et al (2024) Low-Temperature Activation and Coupling of Methane on MgO Nanostructures Embedded in Cu2O/Cu(111). ACS Nano 18:28371–28381. https://doi.org/10.1021/acsnano.4c10811
• Xie Z, Huang E, Garg S, et al (2024) CO2 fixation into carbon nanofibres using electrochemical–thermochemical tandem catalysis. Nature Catalysis 7:98–109. https://doi.org/10.1038/s41929-023-01085-1
• Le T, Takeuchi ES, Takeuchi KJ, et al (2024) Rational optimization of substituted α-MnO2 cathode for aqueous zinc-ion battery. Energy Storage 6:. https://doi.org/10.1002/est2.633
• Han X, Mou T, Islam A, et al (2024) Theoretical Prediction and Experimental Verification of IrOx Supported on Titanium Nitride for Acidic Oxygen Evolution Reaction. Journal of the American Chemical Society 146:16499–16510. https://doi.org/10.1021/jacs.4c02936
• Huang E, Liu P (2023) Theoretical Perspective of Promoting Direct Methane-to-Methanol Conversion at Complex Metal Oxide–Metal Interfaces. The Journal of Physical Chemistry Letters 14:6556–6563. https://doi.org/10.1021/acs.jpclett.3c01525
• Liao W, Liu P (2022) Enhanced descriptor identification and mechanism understanding for catalytic activity using a data-driven framework: revealing the importance of interactions between elementary steps. Catalysis Science & Technology 12:3836–3845. https://doi.org/10.1039/d2cy00284a
• Huang E, Orozco I, Ramírez PJ, et al (2021) Selective Methane Oxidation to Methanol on ZnO/Cu2O/Cu(111) Catalysts: Multiple Site-Dependent Behaviors. Journal of the American Chemical Society 143:19018–19032. https://doi.org/10.1021/jacs.1c08063
• Liu Z, Huang E, Orozco I, et al (2020) Water-promoted interfacial pathways in methane oxidation to methanol on a CeO2-Cu2O catalyst. Science 368:513–517. https://doi.org/10.1126/science.aba5005

Research Highlights

• Reaction Conditions Tune Catalytic Selectivity
• Catalytic Combo Converts CO₂ to Solid Carbon Nanofibers
• Scientists Make and Test Efficient Water-Splitting Catalyst Predicted by Theory
• New Catalyst Recycles Methane Emissions at Room Temperature
• Chemists Develop New Machine Learning Framework to Improve Catalysts
• Novel Chemical Reaction Supports Carbon-Neutral Industrial Processes
• Steering Conversion of CO2 and Ethane to Desired Products
• Converting Methane to Methanol—With and Without Water
• Catalyst Study Advances Carbon-Dioxide-to-Ethanol Conversion
• Lithium-Ion Battery Research "Flowers"
• Water is Key in Catalytic Conversion of Methane to Methanol
• Machine-Learning Analysis of X-ray Data Picks Out Key Catalytic Properties
• Producing Beneficial Propylene While Consuming a Major Greenhouse Gas
• ACS Meeting News: New catalyst details could help turn carbon dioxide into something valuable
• New Catalyst for Making Methanol from Methane

Awards & Recognition

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