Zili Wu

Zili Wu

Group Leader, Surface Chemistry & Catalysis


Dr. Zili Wu is currently the Leader of Surface Chemistry and Catalysis Group (https://www.ornl.gov/division/csd/surface-chemistry) at Chemical Science Division and a Research & Development Staff member at the Center for Nanophase Materials Sciences of Oak Ridge National Laboratory (ORNL), the Thrust1 Leader in the UNCAGE-ME Center, one of DOE’s Energy Frontier Research Centers. He obtained his PhD in physical chemistry at Dalian Institute of Chemical Physics in 2001 and spent over 3 years at Northwestern University as a postdoctoral associate before joining the staff of ORNL in 2006. He has over 15-year experiences in heterogeneous catalysis, applied spectroscopy and nanomaterial synthesis. His research interests lie in the fundamental understanding of catalytic active sites on the surfaces and interfaces involved in heterogeneous catalysis, photocatalysis and electrocatalysis, establishing structure-catalysis relationships in catalytic solids as a function of time and space, using in situ and operando characterization methods, and fabricating nanomaterials with well-defined structures. He is an active ACS member and has organized more than 10 ACS Symposia in the area of fundamental catalysis and energy materials.


- DOE-BES: Fundamentals of catalytic transformation over multi-functional catalysts
- DOE-BES: Photocatalysis for solar fuels with low dimensional materials
- DOE-BES: Understanding acid gases interaction with energy materials


Google Scholar: http://scholar.google.com/citations?user=tyqZrsYAAAAJ&hl=en&oi=ao
ORCID: 0000-0002-4468-3240
Recent Publications (Total > 140; 1 edited book, 5 book chapters, H-index 38, citations 4500+):

Su, T.; Shao, Q.; Qin, Z.; Guo, Z.; Wu, Z., Role of Interfaces in Two-Dimensional Photocatalyst for Water Splitting. ACS Catalysis 2018, 8 (3), 2253-2276.
Polo-Garzon, F.; Wu, Z. L., Acid-base catalysis over perovskites: a review. Journal of Materials Chemistry A 2018, 6 (7), 2877-2894.
Fung, V.; Polo-Garzon, F.; Wu, Z. L.; Jiang, D. E., Exploring perovskites for methane activation from first principles. Catal Sci Technol 2018, 8 (3), 702-709.
Foo, G. S.; Hood, Z. D.; Wu, Z. L., Shape Effect Undermined by Surface Reconstruction: Ethanol Dehydrogenation over Shape-Controlled SrTiO3 Nanocrystals. ACS Catalysis 2018, 8 (1), 555-565.
Zhu, W. S.; Wu, Z. L.; Foo, G. S.; Gao, X.; Zhou, M. X.; Liu, B.; Veith, G. M.; Wu, P. W.; Browning, K. L.; Lee, H. N.; Li, H. M.; Dai, S.; Zhu, H. Y., Taming interfacial electronic properties of platinum nanoparticles on vacancy-abundant boron nitride nanosheets for enhanced catalysis. Nat Commun 2017, 8.
Zhu, M. H.; Lai, J. K.; Tumuluri, U.; Wu, Z. L.; Wachs, I. E., Nature of Active Sites and Surface Intermediates during SCR of NO with NH3 by Supported V2O5-WO3/TiO2 Catalysts. J Am Chem Soc 2017, 139 (44), 15624-15627.
Wu, Z. L.; Cheng, Y. Q.; Tao, F.; Daemen, L.; Foo, G. S.; Nguyen, L.; Zhang, X. Y.; Beste, A.; Ramirez-Cuesta, A. J., Direct Neutron Spectroscopy Observation of Cerium Hydride Species on a Cerium Oxide Catalyst. J Am Chem Soc 2017, 139 (28), 9721-9727.
Tumuluri, U.; Howe, J. D.; Mounfield, W. P.; Li, M. J.; Chi, M. F.; Hood, Z. D.; Walton, K. S.; Sholl, D. S.; Dai, S.; Wu, Z. L., Effect of Surface Structure of TiO2 Nanoparticles on CO2 Adsorption and SO2 Resistance. ACS Sustain Chem Eng 2017, 5 (10), 9295-9306.
Polo‐Garzon, F.; Yang, S. Z.; Fung, V.; Foo, G. S.; Bickel, E. E.; Chisholm, M. F.; Jiang, D. e.; Wu, Z., Controlling Reaction Selectivity through the Surface Termination of Perovskite Catalysts. Angewandte Chemie International Edition 2017, 56 (33), 9820-9824.
Foo, G. S.; Polo-Garzon, F.; Fung, V.; Jiang, D. E.; Overbury, S. H.; Wu, Z. L., Acid-Base Reactivity of Perovskite Catalysts Probed via Conversion of 2-Propanol over Titanates and Zirconates. ACS Catalysis 2017, 7 (7), 4423-4434.
Foo, G. S.; Hu, G. X.; Hood, Z. D.; Li, M. J.; Jiang, D. E.; Wu, Z. L., Kinetics and Mechanism of Methanol Conversion over Anatase Titania Nanoshapes. ACS Catalysis 2017, 7 (8), 5345-5356.

Facilities Used

- Center for Nanophase Materials Sciences
- Spallation Neutron Source
- National Synchrotron Light Sources

Specialized Equipment

- In situ/operando multi-wavelength Raman spectroscopy for gas and aqueous phase catalysis
- In situ/operando infrared spectroscopy, SSITKA-IR of catalysis
- Micro-reactors for heterogeneous catalysis
- Photocatalysis and photoelectrochemistry for solar fuels
- Microcalorimetry for heat of adsorption and desorption measurements

User Facility