Publications

journal articles

2024

[105]  Assessing the Influences of Kinetics and Intrazeolite Diffusion on Propene Oligomerization Product Selectivity in MFI Zeolites
Elizabeth E. Bickel Rogers, Rajamani Gounder*
Journal of Catalysis (2024) in review

[104Designing Active Site Environments in Zeolites for Brønsted Acid Catalysis
Sopuruchukwu Ezenwa, Rajamani Gounder*
Chemical Communications (2024) in review

[103A Career in Catalysis: Enrique Iglesia
David G. Barton, Aditya Bhan, Prashant Deshlahra, Rajamani Gounder*, David Hibbitts, Beata A. Kilos*, Gina Noh, Justin M. Notestein, Michele L. Sarazen, Stuart L. Soled
ACS Catalysis (2024) in review

[102]  Kinetic Monte Carlo Analysis Reveals Non-Mean-Field Active Site Dynamics in Cu-Zeolite Catalyzed NOx Reduction
Anshuman Goswami, Siddarth H. Krishna, Rajamani Gounder, William F. Schneider*
ACS Catalysis (2024) in press (PDF | SI)

[101Thermodynamics and Kinetics of Interconversion Between Platinum Nanoparticles and Cations in Zeolites
Anupama Jayaraman, Asanka Wijerathne, Keka Mandal, Rajamani Gounder, Christopher Paolucci*
Journal of Catalysis, 434 (2024) 115507 (PDF | SI)

[100]  Synthetic Placement of Active Sites in MFI Zeolites for Selective Toluene Methylation to Para-Xylene
Sopuruchukwu Ezenwa, Hansel Montalvo-Castro, Alexander J. Hoffman, Huston Locht, Jordan Attebery, Deng-Yan Jan, Michael Schmidthorst, Bradley Chmelka, David Hibbitts*, Rajamani Gounder*
Journal of the American Chemical Society, 146 (2024) 10666-10678 (PDF | SI)

[99]  Calcium Additives Enhance Coke Migration and Catalyst Stability for Pt-Based Catalysts in Ethane Dehydrogenation
Vamakshi Yadav, Joanna M. Rosenberger, Brandon K. Bolton, Rajamani Gounder, Christina W. Li*
Journal of Catalysis, 432 (2024) 115446 (PDF | SI)

[98]  Mechanistic Studies of Continuous Partial Methane Oxidation on Cu-Zeolites Using Kinetic and Spectroscopic Methods
Andrew D. Mikes, Lauren Kilburn, Rajamani Gounder*
ChemCatChem (2024) DOI: 10.1002/cctc.202400156 (PDF)

[97]  Structure and Reactivity of Binuclear Cu Active Sites in Cu-CHA Zeolites for Stoichiometric Partial Methane Oxidation to Methanol
Laura N. Wilcox^, Jose Rebolledo-Oyarce^, Andrew D. Mikes, Yujia Wang, William F. Schneider*, Rajamani Gounder*
ACS Catalysis, 14 (2024) 3647-3663 (PDF | SI)

[96Quantification of Extracrystalline Acid Sites in MFI Zeolites after Post-Synthetic Passivation Treatments using Mesitylene Benzylation Kinetics
Sopuruchukwu Ezenwa, Geoffrey M. Hopping, Eric D. Sauer, Teah Scott, Savanna Mack, Rajamani Gounder*
Reaction Chemistry & Engineering, 9 (2024) 1096-1112 (PDF | SI)

[95]  Structural Changes to Molybdenum and Brønsted Acid Sites in MFI Zeolites During Methane Dehydroaromatization Reaction-Regeneration Cycles 
Ángel N. Santiago-Colón, Rajamani Gounder*
Journal of Catalysis, 430 (2024) 115335 (PDF | SI)

2023

[94]  Analysis and Augmentation of Guest-Host Interaction Energy Models as CHA and AEI Zeolite Crystallization Phase Predictors
Craig Waitt, Xuyao Gao, Rajamani Gounder, Anthony DeBellis, Subramanian Prasad, Ahmad Moini, William F. Schneider*
Journal of Physical Chemistry C, 127 (2023) 22740-22751 (PDF | SI)

[93]  Effects of Zeolite Framework Topology on Cu(I) Oxidation and Cu(II) Reduction Kinetics of NOx Selective Catalytic Reduction with NH3
Mykela DeLuca^, Casey B. Jones^, Siddarth H. Krishna, Anshuman Goswami, Raghav Saxena, Sichi Li, Subramanian Prasad, Ahmad Moini, William F. Schneider, Rajamani Gounder*
Chem Catalysis, 3 (2023) 100726 (PDF | SI)

[92]  Synthetic Methods to Vary Crystallite Properties of TON Zeolites and Their Consequences for Brønsted-Acid Catalyzed Propene Oligomerization 
Elizabeth E. Bickel, Hannah McGinness, Natalie Zamiechowski, Rajamani Gounder*
Journal of Catalysis, 426 (2023) 189-199 (PDF | SI)

[91]  Influence of Framework Al Density in Chabazite Zeolites on Copper Ion Mobility and Reactivity During NOx Selective Catalytic Reduction with NH3
Siddarth H. Krishna, Anshuman Goswami, Yujia Wang, Casey B. Jones, David P. Dean, Jeffrey T. Miller, William F. Schneider, Rajamani Gounder*
Nature Catalysis, 6 (2023) 276-285 (PDF | SI)

[90]  Influence of Brønsted-Acid Site Density on Reaction-Diffusion Phenomena that Govern Propene Oligomerization Rate and Selectivity in MFI Zeolites
Elizabeth E. Bickel, Songhyun Lee, Rajamani Gounder*
ACS Catalysis, 13 (2023) 1257-1269 (PDF | SI)

[89]  Effect of Framework Al Pairing on NO Storage Properties of Pd-CHA Passive NOx Adsorbers
Joseph R. Theis, Justin Ura, Andrew (Bean) Getsoian, Vitaly Y. Pridhodko, Calvin R. Thomas, Josh A. Pihl, Trevor M. Lardinois, Rajamani Gounder, Xinyi Wei, Yaying Ji, Mark Crocker*
Applied Catalysis B, 322 (2023) 122074 (PDF | SI)

2022

[88]  Influence of an N,N,N-Trimethyl-1-Adamantylammonium (TMAda+) Structure Directing Agent on Al Distributions and Pair Features in Chabazite Zeolite
Xiaoyu Wang, Yujia Wang, Ahmad Moini, Rajamani Gounder, Edward J. Maginn, William F. Schneider*
Chemistry of Materials, 34 (2022) 10811-10822 (PDF | SI)

[87]  Hydrocarbon Products Occluded within Zeolite Micropores Impose Transport Barriers that Regulate Brønsted Acid-Catalyzed Propene Oligomerization
Elizabeth E. Bickel, Rajamani Gounder*
JACS Au, 2 (2022) 2585-2595 (PDF | SI)

[86]  Evolution of Framework Al Arrangements in CHA Zeolites During Crystallization in the Presence of Organic and Inorganic Structure-Directing Agents
Songhyun Lee, Claire T. Nimlos, Elijah R. Kipp, Yujia Wang, Xuyao Gao, William F. Schneider, Marcella Lusardi, Vivek Vattipalli, Subramanian Prasad, Ahmad Moini, Rajamani Gounder*
Crystal Growth & Design, 22 (2022) 6275-6295 (PDF | SI)

[85]  Altering the Arrangement of Framework Al Atoms in MEL Zeolites Using Mixtures of Tetrabutylammonium and Sodium Structure-Directing Agents
Elizabeth E. Bickel, Alexander J. Hoffman, Songhyun Lee, Hannah E. Snider, Claire T. Nimlos, Natalie K. Zamiechowski, David Hibbitts, Rajamani Gounder*
Chemistry of Materials, 34 (2022) 6835-6852 (PDF | SI)

[84]  Kinetic and Thermodynamic Factors Influencing Palladium Nanoparticle Redispersion into Mononuclear Pd(II) Cations in Zeolite Supports
Trevor M. Lardinois^, Keka Mandal^, Vamakshi Yadav, Asanka Wijerathne, Brandon K. Bolton, Harrison Lippie, Christina W. Li, Christopher Paolucci, Rajamani Gounder*
Journal of Physical Chemistry C, 126 (2022) 8337-8353 (PDF | SI)

[83]  Kinetic Modeling of Ethene Oligomerization on Bifunctional Nickel and Acid Beta Zeolite
Elsa Koninckx, Rajamani Gounder, Joris Thybaut, Linda J. Broadbelt*
Industrial & Engineering Chemistry Research, 61 (2022) 3860-3876 (PDF | SI)

[82]  Investigation of the Modes of NO Adsorption in Pd/H-CHA
Paul Kim, Jeroen Van Der Mynsbrugge, Hassan Aljama, Trevor M. Lardinois, Rajamani Gounder, Martin Head-Gordon, Alexis T. Bell*
Applied Catalysis B, 304 (2022) 120992 (PDF | SI)

[81]  Quantifying Effects of Active Site Proximity on Rates of Methanol Dehydration to Dimethyl Ether over CHA Zeolites through Microkinetic Modeling
Grant Marsden, Pavlo Kostetskyy, Ryoh-Suke Sekiya, Alexander Hoffman, Songhyun Lee, Rajamani Gounder, David Hibbitts, Linda J. Broadbelt*
ACS Materials Au, 2 (2022) 163-175 (PDF | SI)

[80]  Effects of Ethene Pressure on Deactivation During Oligomerization on Ni Sites within Microporous and Mesoporous Supports
Richard Caulkins, Ravi Joshi, Rajamani Gounder*, Fabio H. Ribeiro*
ChemCatChem, 14 (2022) e202101478 (PDF | SI)

[79]  Effect of Nickel Active Site Density on the Deactivation of Ni-Beta Zeolite Catalysts During Ethene Dimerization
Arunima Saxena, Ravi Joshi, Ranga R. Seemakurthi, Elsa Koninckx, Linda J. Broadbelt, Jeffrey Greeley, Rajamani Gounder*
ACS Engineering Au, 2 (2022) 12-16 (PDF | SI)

2021

[78]  Mechanistic Studies of NH3-Assisted Reduction of Mononuclear Cu(II) Cation Sites in Cu-CHA Zeolites
Laura N. Wilcox^, Siddarth H. Krishna^, Casey B. Jones, Rajamani Gounder*
Catalysis Science & Technology, 11 (2021) 7932-7942 (PDF | SI)

[77]  Effects of Treatment Conditions on Pd Speciation in CHA and Beta Zeolites for Passive NOx Adsorption
Robert B. Pace, Trevor M. Lardinois, Yaying Ji, Rajamani Gounder, Olivier Heintz, Mark Crocker*
ACS Omega, 6 (2021) 29471-29482 (PDF | SI)

[76]  Molecular Water Provides a Channel for Communication Between Brønsted Acid Sites in Solid Catalysts
Siddarth H. Krishna, Rajamani Gounder*
Chem Catalysis, 1 (2021) 968-970 (PDF)

[75]  Dioxygen Activation Kinetics over Distinct Cu Site Types in Cu-CHA Zeolites
Daniel T. Bregante^, Laura N. Wilcox^, Changming Liu, Chrisopher Paolucci, Rajamani Gounder, David W. Flaherty*
ACS Catalysis, 11 (2021) 11873-11884 (PDF | SI)

[74]  Temperature Dependence of Cu(I) Oxidation and Cu(II) Reduction Kinetics in the Selective Catalytic Reduction of NOx with NH3 on Cu-Chabazite Zeolites
Siddarth H. Krishna, Casey B. Jones, Rajamani Gounder*
Journal of Catalysis, 404 (2021) 873-882 (PDF | SI)

[73]  Demonstrating Concepts in Catalysis, Renewable Energy, and Chemical Safety with the Catalytic Oxidation of Hydrogen
Viktor J. Cybulskis, Piotr Gawecki, Yury Zvinevich, Rajamani Gounder*, Fabio H. Ribeiro*
Journal of Chemical Education, 98 (2021) 2036-2041 (PDF | SI)

[72]  Developing Quantitative Synthesis-Structure-Function Relations for Framework Aluminum Arrangement Effects in Zeolite Acid Catalysis
Elizabeth E. Bickel, Claire T. Nimlos, Rajamani Gounder*
Journal of Catalysis, 399 (2021) 75-85 (PDF)

[71]  Dynamic Interconversion of Metal Active Site Ensembles in Zeolite Catalysis
Siddarth H. Krishna, Casey B. Jones, Rajamani Gounder*
Annual Review of Chemical and Biomolecular Engineering, 12 (2021) 115-136 (PDF)

[70]  Olefin Oligomerization by Main Group Ga3+ and Zn2+ Single Site Catalysts on SiO2
Nicole J. LiBretto, Yinan Xu, Aubrey Quigley, Ethan Edwards, Rhea Nargund, Juan Carlos Vega-Vila, Richard Caulkins, Arunima Saxena, Rajamani Gounder, Jeffrey Greeley, Guanghui Zhang*, Jeffrey T. Miller*
Nature Communications, 12 (2021) 2322 (PDF | SI)

[69]  Kinetic Effects of Molecular Clustering and Solvation by Extended Networks in Zeolite Acid Catalysis
Jason S. Bates, Rajamani Gounder*
Chemical Science, 12 (2021) 4699-4708 (PDF)

[68]  Structural Interconversion Between Agglomerated Palladium Domains and Mononuclear Pd(II) Cations in Chabazite Zeolites
Trevor M. Lardinois, Jason S. Bates, Harrison Lippie, Christopher K. Russell, Jeffrey T. Miller, Harry M. Meyer III, Kinga A. Unocic, Vitaly Prikhodko, Xinyi Wei, Christine K. Lambert, Andrew (Bean) Getsoian, Rajamani Gounder*
Chemistry of Materials, 33 (2021) 1698-1713 (PDF | SI)

[67]  Propene Oligomerization on Beta Zeolites: Development of a Microkinetic Model and Experimental Validation
Sergio Vernuccio*, Elizabeth E. Bickel, Rajamani Gounder, Linda J. Broadbelt
Journal of Catalysis, 395 (2021) 302-314 (PDF | SI)

[66]  Effects of Brønsted Acid Site Proximity in Chabazite Zeolites on OH Infrared Spectra and Protolytic Propane Cracking Kinetics
Philip M. Kester^, Jerry T. Crum^, Sichi Li, William F. Schneider*, Rajamani Gounder*
Journal of Catalysis, 395 (2021) 210-226 (PDF | SI)

2020

[65]  Experimental and Theoretical Assessments of Aluminum Proximity in MFI Zeolites and its Alteration by Organic and Inorganic Structure-Directing Agents
Claire T. Nimlos^, Alexander J. Hoffman^, Young Gul Hur, Byung Jin Lee, John R. Di Iorio, David D. Hibbitts*, Rajamani Gounder*
Chemistry of Materials, 32 (2020) 9277-9298 (PDF | SI)

[64]  Quantification of Intraporous Hydrophilic Binding Sites in Lewis Acid Zeolites and Consequences for Sugar Isomerization Catalysis
Juan Carlos Vega-Vila, Rajamani Gounder*
ACS Catalysis, 10 (2020) 12197-12211 (PDF | SI)

[63]  Mechanistic Insights into Alkene Chain Growth Reactions Catalyzed by Nickel Active Sites on Ordered Microporous and Mesoporous Supports
Ravi Joshi, Arunima Saxena, Rajamani Gounder*
Catalysis Science & Technology, 10 (2020) 7101-7123 (PDF)

[62]  Clustering of Alkanols Confined in Chabazite Zeolites: Kinetic Implications for Dehydration of Methanol-Ethanol Mixtures
Jason S. Bates, Rajamani Gounder*
Journal of Catalysis, 390 (2020) 178-183 (PDF | SI)

[61]  Solvation and Mobilization of Copper Active Sites in Zeolites by Ammonia: Consequences for the Catalytic Reduction of Nitrogen Oxides
Christopher Paolucci, John R. Di Iorio, William F. Schneider*, Rajamani Gounder*
Accounts of Chemical Research, 53 (2020) 1881-1892 (PDF | SI)

[60]  Opportunities in Catalysis over Metal-Zeotypes Enabled by Descriptions of Active Centers Beyond their Binding Site
James W. Harris*, Jason S. Bates, Brandon C. Bukowski, Jeffrey Greeley, Rajamani Gounder
ACS Catalysis, 10 (2020) 9476-9495 (PDF)

[59]  Rigid Arrangements of Ionic Charge in Zeolite Frameworks Conferred by Specific Al Distributions Preferentially Stabilize Alkanol Dehydration Transition States
Alexander J. Hoffman, Jason S. Bates, John R. Di Iorio, Steven V. Nystrom, Claire T. Nimlos, Rajamani Gounder*, David Hibbitts*
Angewandte Chemie International Edition, 59 (2020) 18686-18694 (PDF | SI)

[58]  Tighter Confinement Increases Selectivity of D-Glucose Isomerization Toward L-Sorbose in Titanium Zeolites
Michael J. Cordon, Juan Carlos Vega-Vila, Alyssa Casper, Zige Huang, Rajamani Gounder*
Angewandte Chemie International Edition, 59 (2020) 19102-19107 (PDF | SI)

[57]  Structure and Solvation of Confined Water and Water-Ethanol Clusters within Microporous Brønsted Acids and their Effects on Ethanol Dehydration Catalysis
Jason S. Bates^, Brandon C. Bukowski^, Jeffrey Greeley*, Rajamani Gounder*
Chemical Science, 11 (2020) 7102-7122 (PDF | SI); Correction to Figure 7a (PDF)

[56]  Parallel Alkane Dehydrogenation Routes on Brønsted Acid and Reaction-Derived Carbonaceous Active Sites in Zeolites
Philip M. Kester, Enrique Iglesia, Rajamani Gounder*
Journal of Physical Chemistry C, 124 (2020) 15839-15855 (PDF | SI)

[55]  Combining Kinetics and Operando Spectroscopy to Interrogate the Mechanism and Active Site Requirements of NOx Selective Catalytic Reduction with NH3 on Cu-Zeolites
Siddarth H. Krishna, Casey B. Jones, Jeffrey T. Miller, Fabio H. Ribeiro, Rajamani Gounder*
Journal of Physical Chemistry Letters, 11 (2020) 5029-5036 (PDF)

[54]  Effects of Dioxygen Pressure on Rates of NOx Selective Catalytic Reduction with NH3 on Cu-CHA Zeolites
Casey B. Jones^, Ishant Khurana^, Siddarth H. Krishna, Arthur J. Shih, W. Nicholas Delgass, Jeffrey T. Miller, Fabio H. Ribeiro, William F. Schneider, Rajamani Gounder*
Journal of Catalysis, 389 (2020) 140-149 (PDF | SI)

[53]  Cooperative and Competitive Occlusion of Organic and Inorganic Structure Directing Agents within Chabazite Zeolites Influences Their Aluminum Arrangement
John R. Di Iorio^, Sichi Li^, Casey B. Jones, Claire T. Nimlos, Yujia Wang, Eduard Kunkes, Vivek Vattipalli, Subramanian Prasad, Ahmad Moini, William F. Schneider*, Rajamani Gounder*
Journal of the American Chemical Society, 142 (2020) 4807-4819 (PDF | SI)

[52]  Initiating a Research-Focused Academic Career in Chemical Engineering: Perspectives from Faculty at Different Career Stages
Viktor J. Cybulskis, Rajamani Gounder, Sarah Mojarad, Mark E. Davis*
AIChE Journal, 66 (2020) e16927 (PDF)

2019

[51]  Mechanistic Origins of the High-Pressure Inhibition of Methanol Dehydration Rates in Small-Pore Acidic Zeolites
John R. Di Iorio, Alexander J. Hoffman, Claire T. Nimlos, Steven Nystrom, David Hibbitts*, Rajamani Gounder*
Journal of Catalysis, 380 (2019) 161-177 (PDF | SI)

[50]  Defect-Mediated Ordering of Condensed Water Structures in Microporous Zeolites
Brandon C. Bukowski, Jason S. Bates, Rajamani Gounder, Jeffrey Greeley*
Angewandte Chemie International Edition, 58 (2019) 16422-16426 (PDF | SI)

[49]  Microkinetic Model of Propylene Oligomerization on Brønsted Acidic Zeolites at Low Conversion
Sergio Vernuccio, Elizabeth E. Bickel, Rajamani Gounder, Linda J. Broadbelt*
ACS Catalysis, 9 (2019) 8996-9008 (PDF | SI)

[48]  Influence of N,N,N-Trimethyl-1-Adamantyl Ammonium Structure Directing Agent on Al Substitution in SSZ-13 Zeolite
Sichi Li, Rajamani Gounder, Anthony Debellis, Imke B. Müller, Subramanian Prasad, Ahmad Moini, William F. Schneider*
Journal of Physical Chemistry C, 123 (2019) 17454-17458 (PDF | SI)

[47]  Influence of Tetrapropylammonium and Ethylenediamine Structure-Directing Agents on the Framework Al Distribution in B-Al-MFI Zeolites
Young Gul Hur^, Philip M. Kester^, Claire T. Nimlos, YoonRae Cho, Jeffrey T. Miller, Rajamani Gounder*
Industrial & Engineering Chemistry Research, 58 (2019) 11849-11860 (PDF | SI)

[46]  Distinct Catalytic Reactivity of Sn Substituted in Framework Locations and at Defect Grain Boundaries in Sn-Zeolites
Jason S. Bates, Brandon C. Bukowski, James W. Harris, Jeffrey Greeley, Rajamani Gounder*
ACS Catalysis, 9 (2019) 6146-6168 (PDF | SI)

[45]  Automotive NOx Abatement Using Zeolite-Based Technologies
Rajamani Gounder*, Ahmad Moini*
Reaction Chemistry & Engineering, 4 (2019) 966-968 (PDF)

[44]  Deactivation of Sn-Beta Zeolites Caused by Structural Transformation of Hydrophobic to Hydrophilic Micropores During Aqueous-Phase Glucose Isomerization
Michael J. Cordon, Jacklyn N. Hall, James W. Harris, Jason S. Bates, Son-Jong Hwang, Rajamani Gounder*
Catalysis Science & Technology, 9 (2019) 1654-1668 (PDF | SI)

[43]  Spectroscopic and Kinetic Responses of Cu-SSZ-13 to SO2 Exposure and Implications for NOx Selective Catalytic Reduction
Arthur J. Shih, Ishant Khurana, Hui Li, Juan González, Ashok Kumar, Christopher Paolucci, Trevor M. Lardinois, Casey B. Jones, Jonatan D. Albarracin-Caballero, Krishna Kamasamudram, Aleksey Yezerets, W. Nicholas Delgass, Jeffrey T. Miller, Aida Luz Villa, William F. Schneider*, Rajamani Gounder*, Fabio H. Ribeiro*
Applied Catalysis A, 574 (2019) 122-131 (PDF | SI)

[42]  Cooperative Effects Between Hydrophilic Pores and Solvents: Catalytic Consequences of Hydrogen-Bonding on Alkene Epoxidation in Zeolites
Daniel T. Bregante, Alayna M. Johnson, Ami Y. Patel, E. Zeynep Ayla, Michael J. Cordon, Brandon C. Bukowski, Jeffrey Greeley, Rajamani Gounder, David W. Flaherty*
Journal of the American Chemical Society, 141 (2019) 7302-7319 (PDF | SI)

[41]  Consequences of Exchange-Site Heterogeneity and Dynamics on the UV-Visible Spectrum of Cu-Exchanged SSZ-13
Hui Li^, Christopher Paolucci^, Ishant Khurana, Laura N. Wilcox, Florian Göltl, Jonatan D. Albarracin-Caballero, Arthur J. Shih, Fabio H. Ribeiro, Rajamani Gounder*, William F. Schneider*
Chemical Science, 10 (2019) 2373-2384 (PDF | SI)

2018

[40]  Evidence for the Coordination-Insertion Mechanism of Ethene Dimerization at Nickel Cations Exchanged onto Beta Molecular Sieves
Ravi Joshi, Guanghui Zhang, Jeffrey T. Miller, Rajamani Gounder*
ACS Catalysis, 8 (2018) 11407-11422 (PDF | SI)

[39]  Dominant Role of Entropy in Stabilizing Sugar Isomerization Transition States within Hydrophobic Zeolite Pores
Michael J. Cordon, James W. Harris, Juan Carlos Vega-Vila, Jason S. Bates, Sukhdeep Kaur, Mohit Gupta, Megan E. Witzke, Evan C. Wegener, Jeffrey T. Miller, David W. Flaherty, David D. Hibbitts, Rajamani Gounder*
Journal of the American Chemical Society, 140 (2018) 14244-14266 (PDF | SI)

[38]  First-Principles Comparison of Proton and Divalent Copper Cation Exchange Energy Landscapes in SSZ-13 Zeolite
Sichi Li, Hui Li, Rajamani Gounder, Anthony Debellis, Imke B. Müller, Subramanian Prasad, Ahmad Moini, Wililam F. Schneider*
Journal of Physical Chemistry C, 122 (2018) 23564-23573 (PDF | SI)

[37]  First Principles, Microkinetic, and Experimental Analysis of Lewis Acid Site Speciation During Ethanol Dehydration on Sn-Beta Zeolites
Brandon C. Bukowski, Jason S. Bates, Rajamani Gounder, Jeffrey Greeley*
Journal of Catalysis, 365 (2018) 261-276 (PDF | SI)

[36]  Influence of Confining Environment Polarity on Ethanol Dehydration Catalysis by Lewis Acid Zeolites
Jason S. Bates, Rajamani Gounder*
Journal of Catalysis, 365 (2018) 213-226 (PDF | SI)

[35]  Ammonia Titration Methods to Quantify Brønsted Acid Sites in Zeolites Substituted with Aluminum and Boron Heteroatoms
Philip M. Kester, Jeffrey T. Miller, Rajamani Gounder*
Industrial & Engineering Chemistry Research, 57 (2018) 6673-6683 (PDF | SI)

[34]  Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research
Brandon C. Knott^, Claire T. Nimlos^, David J. Robichaud, Mark R. Nimlos, Seonah Kim*, Rajamani Gounder*
ACS Catalysis, 8 (2018) 770-784 (PDF)

2014-2017

[33]  Molecular Structure and Confining Environment of Sn Sites in Single-Site Chabazite Zeolites
James W. Harris^, Wei-Chih Liao^, John R. Di Iorio, Alisa M. Henry, Ta-Chung Ong, Aleix Comas-Vives, Christophe Copèret*, Rajamani Gounder*
Chemistry of Materials, 29 (2017) 8824-8837 (PDF | SI)

[32]  Introducing Catalytic Diversity into Single-Site Chabazite Zeolites of Fixed Composition via Synthetic Control of Active Site Proximity
John R. Di Iorio, Claire T. Nimlos, Rajamani Gounder*
ACS Catalysis, 7 (2017) 6663-6674 (PDF | SI)

[31]  Dynamic Multinuclear Sites Formed by Mobilized Copper Ions in NOx Selective Catalytic Reduction
Christopher Paolucci, Ishant Khurana, Atish A. Parekh, Sichi Li, Arthur J. Shih, Hui Li, John R. Di Iorio, Jonatan D. Albarracin-Caballero, Aleksey Yezerets, Jeffrey T. Miller, W. Nicholas Delgass, Fabio H. Ribeiro, William F. Schneider*, Rajamani Gounder*
Science, 357 (2017) 898-903 (PDF | SI)

[30]  Structural and Kinetic Changes to Small-Pore Cu-Zeolites After Hydrothermal Aging Treatments and Selective Catalytic Reduction of NOx with Ammonia
Jonatan D. Albarracin-Caballero^, Ishant Khurana^, John R. Di Iorio, Arthur J. Shih, Joel E. Schmidt, Michiel Dusselier, Mark E. Davis, Aleksey Yezerets, Jeffrey T. Miller, Fabio H. Ribeiro*, Rajamani Gounder*
Reaction Chemistry & Engineering, 2 (2017) 168-179 (PDF | SI)

[29]  Catalysis Science of NOx Selective Catalytic Reduction with Ammonia over Cu-SSZ-13 and Cu-SAPO-34
Christopher Paolucci, John R. Di Iorio, Fabio H. Ribeiro, Rajamani Gounder, William F. Schneider*
Advances in Catalysis, 59 (2016) 1-107 (PDF)

[28]  Controlled Insertion of Tin Atoms into Zeolite Framework Vacancies and Consequences for Glucose Isomerization Catalysis
Juan Carlos Vega-Vila, James W. Harris, Rajamani Gounder*
Journal of Catalysis, 344 (2016) 108-120 (PDF | SI)

[27]  A Transmission Infrared Cell Design for Temperature-Controlled Adsorption and Reactivity Studies on Heterogeneous Catalysts
Viktor J. Cybulskis, James W. Harris, Yury Zvinevich, Fabio H. Ribeiro*, Rajamani Gounder*
Review of Scientific Instruments, 87 (2016) 103101 (PDF | SI)

[26]  Identifying Sn Site Heterogeneities Prevalent Among Sn-Beta Zeolites
Patrick Wolf, Wei-Chih Liao, Ta-Chung Ong, Maxence Valla, James W. Harris, Rajamani Gounder, William N. P. van der Graaff, Evgeny A. Pidko, Emiel J. M. Hensen, Paola Ferini, Jan Dijkmans, Bert Sels, Ive Hermans, Christophe Copèret*
Helvetica Chimica Acta, 99 (2016) 916-927 (PDF | SI)

[25]  Using a Hands-On Hydrogen Peroxide Decomposition Activity to Teach Catalysis Concepts to K-12 Students
Viktor J. Cybulskis, Fabio H. Ribeiro, Rajamani Gounder*
Journal of Chemical Education, 93 (2016) 1406-1410 (PDF | SI)

[24]  Learning the Fundamentals of Kinetics and Reaction Engineering with the Catalytic Oxidation of Methane
Viktor J. Cybulskis, Andrew D. Smeltz, Yury Zvinevich, Rajamani Gounder, W. Nicholas Delgass, Fabio H. Ribeiro*
Chemical Engineering Education, 50 (2016) 202-210 (PDF | SI)

[23]  Catalysis in a Cage: Condition-Dependent Speciation and Dynamics of Exchanged Cu Cations in SSZ-13 Zeolites
Christopher Paolucci, Atish A. Parekh, Ishant Khurana, John R. Di Iorio, Hui Li, Jonatan D. Albarracin-Caballero, Arthur Shih, Trunojoyo Anggara, W. Nicholas Delgass, Jeffrey T. Miller, Fabio H. Ribeiro, Rajamani Gounder, William F. Schneider*
Journal of the American Chemical Society, 138 (2016) 6028-6048 (PDF | SI)

[22]  Controlling the Isolation and Pairing of Aluminum in Chabazite Zeolites Using Mixtures of Organic and Inorganic Structure-Directing Agents
John R. Di Iorio, Rajamani Gounder*
Chemistry of Materials, 28 (2016) 2236-2247 (PDF | SI)

[21]  Titration and Quantification of Open and Closed Lewis Acid Sites in Sn-Beta Zeolites that Catalyze Glucose Isomerization
James W. Harris, Michael J. Cordon, John R. Di Iorio, Juan Carlos Vega-Vila, Fabio H. Ribeiro, Rajamani Gounder*
Journal of Catalysis, 335 (2016) 141-154 (PDF | SI)

[20]  Kinetic Study of Pd-Catalyzed Hydrogenation of N-Benzyl-4-Fluoroaniline
Hyun Tae Hwang, Jospeh R. Martinelli, Rajamani Gounder, Arvind Varma*
Chemical Engineering Journal, 288 (2016) 758-769 (PDF)

[19]  The Dynamic Nature of Brønsted Acid Sites in Cu-Zeolites During NOx Selective Catalytic Reduction: Quantification by Gas-Phase Ammonia Titration
John R. Di Iorio, Shane A. Bates, Anuj A. Verma, W. Nicholas Delgass, Fabio H. Ribeiro, Jeffrey T. Miller, Rajamani Gounder*
Topics in Catalysis, 58 (2015) 424-434 (PDF | SI)

[18]  Solid State NMR Characterization of Sn-Beta Zeolites that Catalyze Glucose Isomerization and Epimerization
Son-Jong Hwang*, Rajamani Gounder, Yashodhan Bhawe, Marat Orazov, Ricardo Bermejo-Deval, Mark E. Davis
Topics in Catalysis, 58 (2015) 435-440 (PDF)

[17]  Isolation of the Copper Redox Steps in the Standard Selective Catalytic Reduction on Cu-SSZ-13
Christopher Paolucci, Anuj A. Verma, Shane A. Bates, Vincent F. Kispersky, Jeffrey T. Miller, Rajamani Gounder, W. Nicholas Delgass, Fabio H. Ribeiro*, William F. Schneider*
Angewandte Chemie International Edition, 53 (2014) 11828-11833 (PDF | SI)

[16]  Hydrophobic Microporous and Mesoporous Oxides as Brønsted and Lewis Acid Catalysts for Biomass Conversion in Liquid Water
Rajamani Gounder*
Catalysis Science & Technology, 4 (2014) 2877-2886 (PDF)

[15]  Methods for NH3 Titration of Brønsted Acid Sites in Cu-Zeolites that Catalyze the Selective Catalytic Reduction of NOx with NH3
Shane A. Bates, W. Nicholas Delgass, Fabio H. Ribeiro, Jeffrey T. Miller*, Rajamani Gounder*
Journal of Catalysis, 312 (2014) 26-36 (PDF | SI)

[14]  Challenges of and Insights into Acid-Catalyzed Transformations of Sugars
Stavros Caratzoulas, Mark E. Davis, Raymond J. Gorte, Rajamani Gounder, Raul F. Lobo, Vladimir Nikolakis, Stanley I. Sandler, Mark A. Snyder, Michael Tsapatsis, Dionisios G. Vlachos*
Journal of Physical Chemistry C, 118 (2014) 22815-22833 (PDF)

[13]  Active Sites in Sn-Beta for Glucose Isomerization to Fructose and Epimerization to Mannose
Ricardo Bermejo-Deval^, Marat Orazov^, Rajamani Gounder, Son-Jong Hwang, Mark E. Davis*
ACS Catalysis, 4 (2014) 2288-2297 (PDF | SI)

2008-2013

[12]  Monosaccharide and Disaccharide Isomerization over Lewis Acid Sites in Hydrophobic and Hydrophilic Molecular Sieves
Rajamani Gounder, Mark E. Davis*
Journal of Catalysis, 308 (2013) 176-188 (PDF | SI)

[11]  Titanium-Beta Zeolites Catalyze the Stereospecific Isomerization of D-Glucose to L-Sorbose via Intramolecular C5-C1 Hydride Shift
Rajamani Gounder, Mark E. Davis*
ACS Catalysis, 3 (2013) 1469-1476 (PDF | SI)

[10]  The Catalytic Diversity of Zeolites: Confinement and Solvation Effects within Voids of Molecular Dimensions
Rajamani Gounder, Enrique Iglesia*
Chemical Communications, 49 (2013) 3491-3509 (PDF)

[9]  Beyond Shape Selective Catalysis in Zeolites: Hydrophobic Void Spaces in Zeolites Enable Catalysis in Liquid Water
Rajamani Gounder, Mark E. Davis*
AIChE Journal, 59 (2013) 3349-3358 (PDF)

[8]  Framework and Extraframework Tin Sites in Zeolite Beta React Glucose Differently
Ricardo Bermejo-Deval^, Rajamani Gounder^, Mark E. Davis*
ACS Catalysis, 2 (2012) 2705-2713 (PDF | SI

[7]  The Roles of Entropy and Enthalpy in Stabilizing Ion-Pairs at Transition States in Zeolite Acid Catalysis
Rajamani Gounder, Enrique Iglesia*
Accounts of Chemical Research, 45 (2012) 229-238 (PDF | SI)

[6]  Solvation and Acid Strength Effects on Catalysis by Faujasite Zeolites
Rajamani Gounder, Andrew J. Jones, Robert T. Carr, Enrique Iglesia*
Journal of Catalysis, 286 (2012) 214-223 (PDF | SI)

[5]  Catalytic Alkylation Routes via Carbonium-Ion-Like Transition States on Acidic Zeolites
Rajamani Gounder, Enrique Iglesia*
ChemCatChem, 3 (2011) 1134-1138 (PDF | SI)

[4]  Catalytic Hydrogenation of Alkenes on Acidic Zeolites: Mechanistic Connections to Monomolecular Alkane Dehydrogenation
Rajamani Gounder, Enrique Iglesia*
Journal of Catalysis, 277 (2011) 36-45 (PDF | SI)

[3]  Effects of Partial Confinement on the Specificity of Monomolecular Alkane Reactions for Acid Sites in Side Pockets of Mordenite
Rajamani Gounder, Enrique Iglesia*
Angewandte Chemie International Edition, 49 (2010) 808-811 (PDF | SI)

[2]  Catalytic Consequences of Spatial Constraints and Acid Site Location for Monomolecular Alkane Activation on Zeolites
Rajamani Gounder, Enrique Iglesia*
Journal of the American Chemical Society, 131 (2009) 1958-1971 (PDF | SI)

[1]  Entropy Considerations in Monomolecular Cracking of Alkanes on Acidic Zeolites
Aditya Bhan, Rajamani Gounder, Josef Macht, Enrique Iglesia*
Journal of Catalysis, 253 (2008) 221-224 (PDF | SI)

WORKSHOP REPORTS

[1Addressing Rigor and Reproducibility in Thermal, Heterogeneous Catalysis
Neil M. Schweitzer, Rajamani Gounder, Robert M. Rioux, eds.
NSF Workshop Report (2023), DOI: 10.5281/zenodo.8029158 (PDF)

Patents

[14Preparation of Nanosheet Zeolites and Applications for Methane Dehydroaromatization
Rajamani Gounder, Ángel N. Santiago-Colón
U. S. Patent Application No. 63/529,189 (2023)

[13Method for Making CHA Zeolites and Zeotypes
Rajamani Gounder, Ángel N. Santiago-Colón,  Songhyun Lee
U. S. Patent Application No. 63/529,264 (2023)

[12Process for Extending Mo-Zeolite Catalyst Lifetime During Methane Dehydroaromatization
Rajamani Gounder, Ángel N. Santiago-Colón
U. S. Patent Application No. 63/521,517 (2023)

[11]  Stable Product Oligomer Selectivity From Olefin Oligomerization on ZSM-5 Zeolites and Zeotypes
Rajamani Gounder, Elizabeth Bickel, Songhyun Lee, Evan Sowinski
U. S. Patent Application No. 63/445,206 (2023)

[10]  MFI Zeolite of Highly Dispersed Framework Aluminum and its Uses for Selective Aromatics Methylation to Para-Xylene
Deng-Yan Jan, Rajamani Gounder, Sopuruchukwu Ezenwa, Jamie G. Moscoso, Gregory Kuzmanich
U. S. Patent Application No. US20230278017A1 (2023) (PDF); WIPO PCT Application No. WO2023168265 (2023) (PDF)

[9] Chabazite Synthesis Method Including Organic and Inorganic Structure Directing Agents and Chabazite Zeolite with Flake-like Morphology
Rajamani Gounder, John R. Di Iorio, Casey B. Jones, Claire T. Nimlos, Vivek Vattipalli, Subramanian Prasad, Eduard Kunkes, Ahmad Moini
WIPO PCT Application No. WO2021024142 (2020) (PDF)

[8]  MFI Zeolites Using DABCO and Methylamine Reagents
Rajamani Gounder, Claire T. Nimlos, Byung Jin Lee
U. S. Patent No. 11,851,337 (2023) (PDF); WIPO PCT Application No. WO2022047374 (2020) (PDF) 

[7]  Zeolite Catalyst
Colin H. McAteer, Mirza S. Baig, Kayla L. Powell, James W. Harris, Rajamani Gounder
U. S. Patent No. 11,752,495 (2023) (PDF); WIPO PCT Application No. WO/2019/089920 (2019) (PDF)

[6]  Nickel-Based Microporous and Mesoporous Catalysts for Selective Olefin Oligomerization
Rajamani Gounder, Ravi Joshi
U. S. Patent No. 11,517,888 (2022) (PDF); WIPO PCT Application No. WO/2019/028022 (2019) (PDF)

[5]  Increased Oligomer Selectivity From Olefin Oligomerization by Incorporation of Boron
Jeffrey T. Miller, Rajamani Gounder, Fabio H. Ribeiro, Han-Ting Tseng, Philip M. Kester, Young Gul Hur, YoonRae Cho
U. S. Patent No. 11,358,912 (2022) (PDF); WIPO PCT Application No. WO/2019/028035 (2019) (PDF)

[4]  Processes of Preparing Sorbose from Glucose
Rajamani Gounder, Michael J. Cordon, Alyssa M. LaRue, Zige Huang
U. S. Patent No. 11,292,806 (2022) (PDF)

[3]  Methods of Synthesizing Chabazite Zeolites with Controlled Aluminum Distribution and Structures Made Therefrom
Rajamani Gounder, John R. Di Iorio
U. S. Patent No. 10,669,158 (2020) (PDF)

[2]  Processes for Producing Materials Having a Zeolite-Type Framework with Heteroatoms Incorporated Therein
Rajamani Gounder, Juan Carlos Vega-Vila, James W. Harris
U. S. Patent No. 10,414,664 (2019) (PDF)

[1]  Conversion of Glucose to Sorbose
Mark E. Davis, Rajamani Gounder
U. S. Patent No. 9,255,120 (2016) (PDF); WIPO PCT Application No. WO/2014/168697 (2014) (PDF)

PhD Theses

[15Sopuruchukwu A. Ezenwa, Purdue University (2024)
Catalytic Consequences of Active Site Environments in Brønsted Acid Aluminosilicates on Toluene Methylation (PDF)

[14Brandon K. Bolton, Purdue University (2023)
Influence of Metal Speciation and Support Properties for Ammonia Oxidation and Other Automotive Exhaust Catalytic Applications (PDF)

[13]  Andrew D. Mikes, Purdue University (2023)
Influence of Chabazite Zeolite Material Properties on Metal-Oxo Active Site Distributions for Partial Methane Oxidation (PDF)

[12]  Elizabeth E. Bickel, Purdue University (2022)
Synthesis of Medium-Pore Brønsted-Acid Zeolites with Tailored Active Site and Crystallite Properties and their Application for Propene Oligomerization Catalysis (PDF)

[11]  Laura N. Wilcox, Purdue University (2021)
Synthesis and Characterization of Mononuclear and Binuclear Copper Species in Cu-Exchanged Zeolites for Redox Reactions Including Partial Methane Oxidation (PDF)

[10]  Casey B. Jones, Purdue University (2021)
Active Site and Zeolite Topological Requirements for the Low-Temperature Selective Catalytic Reduction of NOx on Cu-Zeolites (PDF)

[9]  Trevor M. Lardinois, Purdue University (2021)
Influence of External Environment and Zeolite Material Properties on Extraframework Metal Structures for Passive Adsorption of Automotive Exhaust Pollutants (PDF)

[8]  Claire T. Nimlos, Purdue University (2020)
Influence of Organic and Inorganic Cations on Directing Aluminum Distributions in Zeolite Frameworks and Effects on Brønsted Acid Catalysis (PDF)

[7]  Philip M. Kester, Purdue University (2020)
Hydrothermal Synthesis Methods to Influence Active Site and Crystallite Properties of Zeolites and Consequences for Catalytic Alkane Activation (PDF)

[6]  Juan Carlos Vega-Vila, Purdue University (2019)
Synthetic Strategies to Tailor Active and Defect Site Structures in Lewis Acid Zeolites for Sugar Isomerization Catalysis (PDF)

[5]  Jason S. Bates, Purdue University (2019)
Structure and Solvation of Confined Water and Alkanols in Zeolite Acid Catalysis (PDF)

[4]  Ravi K. Joshi, Purdue University (2019)
Mechanistic Investigations of Ethene Dimerization and Oligomerization Catalyzed by Nickel-Containing Zeotypes (PDF)

[3]  John R. Di Iorio, Purdue University (2018)
Synthetic Methods to Control Aluminum Proximity in Chabazite Zeolites and Consequences for Acid and Redox Catalysis (PDF)

[2]  Michael J. Cordon, Purdue University (2018)
Consequences of the Hydrophobicity and Spatial Constraints of Confining Environments in Lewis Acid Zeolites for Aqueous-Phase Glucose Isomerization Catalysis (PDF)

[1]  James W. Harris, Purdue University (2017)
Titration and Characterization of Lewis Acid Sites in Siliceous Oxides for the Catalysis of Oxygenates (PDF)

[0]  Rajamani P. Gounder, University of California, Berkeley (2011)
Consequences of Confinement in Zeolite Acid Catalysis (PDF)