Welcome to our group website! We are actively looking for postdocs and graduate students to work on computational catalysis (CO2 chemistry, plasmonic catalysis, H2 generation and storage, and many more). If you are interested, send us an email at wang_cbme@ou.edu
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Our research is focused on application of computational simulations to understand and design novel materials with interesting functionality and applications in sustainable energy and environment. Current projects include catalysis for bio-oil upgrading, Li-ion batteries, 2D materials, phase-change materials, optoelectronics, etc.
Latest News
06/2025 Quy received a Kokes award to attend NAM.
05/2025 Thy Thy attended a conference and visited a few labs in France supported by the French embassy in the US.
04/2025 Congratulations to Jacob for a successful PhD defense!
05/2024 We welcome Vi Phan, a visiting student from the University of Saskatchewan
04/2024 We welcome Na to join our group.
04/22/2024 Congratulations to Jacob for passing PhD general exam.
01/2024 Ngan is the newest graduate student joining the group.
12/2023 We welcome Shoutian to join our group.
09/2023 We welcome Nam, Israel and Mahmoud joining the group.
07/2023 Congratulations to Yu Yan & Tien Le for being selected to receive a GCoE Dissertation Excellence Award.
06/13/2023 Congratulations to Tien for a successful PhD defense!
06/09/2023 Congratulations to Yu for a successful PhD defense!
06/2023 Thy Thy received funding to attend the 4th iCoMSE School on DFT at Boise State U.
05/2023 Jacob will spend the next three months at LLNL as an intern supported by the LLNL foundation.
04/11/2023 Congratulations to Vy for a successful PhD defense.
04/2023 Tien received a Kokes award to attend NAM.
03/2023 Vy received a GCoE dissertation award.
01/2023 Zaheer joined the group as a postdoc.
Recent work
2023
Balancing elementary steps enables coke-free dry reforming of methane
J. Yu, T. Le, D. Jing, E. Stavitski, N. Hunter, K. Lalit, D. Leshchev, D. E. Resasco, E. H. Sargent,* Bin Wang,*, W. Huang*
Nature Commun. 14, 7514 (2023)
Plasmonic Energetic Electrons Drive CO2 Reduction on Defective Cu2O,
L. Tien, T. Salavati-fard, Bin Wang*
ACS Catal. 13, 9, 6328–6337 (2023)
2022
Plasmon-Assisted Direct Interfacial Charge Transfer Enables Molecular Photodissociation on Metal Surfaces
T. Salavati-fard, Bin Wang*,
ACS Catal. 12, 12869–12878 (2022)
2021
Thermal Unequilibrium of PdSn Intermetallic Nanocatalysts: From in situ Tailored Synthesis to Unexpected Hydrogenation Selectivity
M. Chen, Y. Yan, M. Gebre, C. Ordonez, L. Qi, A. Lamkins, Andrew; D. Jing, K. Dolge, B. Zhang, P. Heintz, D. Shoemaker*, B. Wang*, W.-Y. Huang*
Angew. Chem. Int. Ed, 60, 18309-18317 (2021)
2020
Transition metal-like carbocatalyst
Z. Luo, R. Nie, V. T. Nguyen, A. Biswas, R. K. Behera, X. Wu, T. Kobayashi, A. Sadow, Bin Wang*, W.-Y. Huang* & L. Qi*
Nature Communications, 11, 4091 (2020)
Research Highlight - New Nitrogen Assembly Carbon catalyst has potential to transform chemical manufacturing
Other highlights: OU Research, Phys.org, EurekAlert!, ScienMag, Newswise, Azom, Chem Europe, Sciencenewsnet,
2019
Solvent-mediated charge separation drives alternative hydrogenation path of furanics in liquid water
Z. Zhao, R. Bababrik, W.H. Xue, Y.P. Li, N. M. Briggs, D.-T. Nguyen, U. Nguyen, S. P. Crossley, S. W. Wang, Bin Wang*, D. E. Resasco*
Nature Catalysis, 2, 431-436 (2019)
"Research shows water can aid production of plant-based fuel" reported in OKLAHOMAN - the largest daily newspaper in the state
Research Highlight - OU Engineers Discover Novel Role of Water in Production of Renewable Fuels
Other highlights Phys.org, Science Daily, Green Car Congress, EurekAlert, DOE Office of Science, etc
See "behind the paper" story - To water, or not to water: that is the question
2018
Ab Initio Calculations of Ionic Hydrocarbon Compounds with Heptacoordinate Carbon,
G. Wang, A. K. F. Rahman, Bin Wang*, Journal of Molecular Modeling, 24, 116 (2018)
This work has been featured on a few public media, including a feature story "Oklahoma High School Student Makes Scientific Discovery By Questioning Common Knowledge" at the STATEIMPACT Oklahoma, Oklahoma Radio NPR, "A High Schooler Has Upended a Fundamental Chemistry Theory" at INVERSE, "A High School Kid From Oklahoma Just Made A Massive Breakthrough In Chemistry" at IFL Science, and a broad discussion on Reddit.
Telephone: (405) 325-5716; Email: wang_cbme@ou.edu;
Sarkeys Energy Center, Room T-332, The University of Oklahoma, 100 E. Boyd St., Norman, OK 73019-1004
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