Paolucci Research Group

Computational Catalysis

University of Virginia, Chemical Engineering Department
Recent News

April 2024: Congratulations to Anukriti Shrestha, Anna Sviripa and Asanka Wijerathne on successfully defending their PhD!

February 2024: Congratulations to group member Sugandha Verma for winning an oral presentation award and group member Kelsey Levine for winning a poster award Southeastern Catalysis Society Symposium!

November 2023: Anukriti Shrestha and Asanka Wijerathne presented their research at the 2023 AIChE Annual Meeting in Orlando.

August 2023: Anukriti Shrestha received a ACS CATL-ChemCatBio Graduate Student Travel Award and presented her research at the Fall ACS Meeting in San Francisco, CA.

August 2023: Anukriti Shrestha and Sugandha Verma attended the SUNCAT Summer Institute in Palo Alto, CA.

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!

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Recent Publications

A. Wijerathne, A. Sawyer, R. Daya, and C. Paolucci "Competition between Mononuclear and Binuclear Copper Sites across Different Zeolite Topologies", JACS Au, (2024) 4,1, 197-215 DOI:10.1021/jacsau.3c00632

S.P.S Solanki, M. Ambast, A. Gupta, C. Paolucci, M.P. Harold and L. C. Grabow "Complete Mechanism for NOx Adsorption and Release on Atomically Dispersed Palladium in Pd-CHA", ACS EST Engg, (2024) 4,1, 209-220 DOI:10.1021/acsestengg.3c00315

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

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