Paolucci Research Group

Computational Catalysis

University of Virginia, Chemical Engineering Department
Recent News

June 2023: Anukriti Shrestha and Sugandha Verma presented their research at the 28th North American Catalysis Society Meeting 2023 in Providence, Rhode Island.

April 2023: Congratulations to Keka Mandal on successfully defending her PhD!

March 2023: Congratulations to Asanka Wijerathne on winning the first place oral presentation award, Sugandha Verma for the first place poster prize, and Gabriel Dickey for the second place poster prize at the UVA Chemical Eng. Graduate Student Symposium!

February 2023: Congratulations to Anukriti Shrestha for winning an oral presentation award and Sugandha Verma for winning a 3rd place poster award at SECS!

June 2022: Congratulations to Anna Sviripa on winning the First Place Graduate Student Poster Prize at Gordon Research Conference!

May 2022: Keka Mandal, Anna Sviripa, Anukriti Shrestha, Asanka Wijerathne, and Sugandha Verma presented their research at the 27th North American Catalysis Society Meeting 2022 in New York City.

May 2022: Congratulations to Anupama Jayaraman on winning the Donald F. Othmer Award, the Via Brothers Award, and the Thomson Scholarship, Shining Wang on winning the excellence in diversity award, and Kijeong Nam on receiving the Thomson scholarship!

March 2022: Congratulations to Keka Mandal on receiving the Kokes Travel Award to present her research at NAM27 in New York!

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Recent Publications

Conley, A. M., Dziatko, R. A., Westendorff, K. S., Sviripa, A., Guthrie, S. M., Chen, Z., Stone, K. H., Bragg, A. E., Paolucci, C., Choi, J. J., Giri, G. "Enhancing Organic Semiconductor Molecular Packing Using Perovskite Interfaces to Improve Singlet Fission", Adv. Funct. Mater. , (2023) 2303232 DOI:10.1002/adfm.202303232

S. Marino, L. Wai, M. Cortes-Reyes, Y. Cheng, P. Laing, G. Cavataio, C. Paolucci, and W. Epling "Rhodium Catalyst Structural Changes during, and Their Impacts on the Kinetics of, CO Oxidation", JACS Au, (2023) 3 459–467 DOI:10.1021/jacsau.2c00595

C. Whitcomb, A. Sviripa, M.I. Schapowal, K. Mamedov, R.R. Unocic, C. Paolucci, and R.J. Davis "Mechanistic Insights on the Low-Temperature Oxidation of CO Catalyzed by Isolated Co Ions in N-Doped Carbon", ACS Catalysis, (2022) 12 15529–15540 DOI:10.1021/acscatal.2c04380

T.M. Lardinois, K. Mandal, V. Yadav, A. Wijerathne, B.K. Bolton, H. Lippie, C. Paolucci, and R. Gounder "Kinetic and Thermodynamic Factors Influencing Palladium Nanoparticle Redispersion into Mononuclear Pd(II) Cations in Zeolite Supports", Journal of Physical Chemistry C, (2022) 126 (19) 8337-8353 DOI:10.1021/acs.jpcc.2c01613

C. Liu, D.P. Wijewardena, A. Sviripa, D.W. Flaherty, and C. Paolucci "Computational and Experimental Insights into Reactive Forms of Oxygen Species on Dynamic Ag Surfaces under Ethylene Epoxidation Conditions", Journal of Catalysis, (2022) 405 445-461 DOI:10.1016/j.jcat.2021.11.031

D.T. Bregante, L.N. Wilcox, C. Liu, C. Paolucci, R. Gounder, and D.W. Flaherty "Dioxygen Activation Kinetics over Distinct Cu Site Types in Cu-CHA Zeolites", ACS Catalysis, (2021) 11 11873-11884 DOI:10.1021/acscatal.1c03471

A. Shrestha, X. Gao, J.C. Hicks, and C. Paolucci, "Nanoparticle Size Effects on Phase Stability for Molybdenum and Tungsten Carbides", Chemistry of Materials, (2021), 33 (12) 4606-4620 DOI:10.1021/acs.chemmater.1c01120

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