CASTLab - Publications

Publications

2025

37. S. Jayaraman*, J. Vito*, A. Occhino, N. Peri, & M. Shetty* (2025). Laboratory Experiment to Educate Undergraduate Chemical Engineering Students in Reaction Kinetics, Catalysis, and Advanced Reaction Engineering. Under review. (*- equally contributing authors)

36. F. Mahnaz, A. Iovine, & M. Shetty* (2025). Interrogating the Missing Links in Tandem CO2 Hydrogenation: Role of Intermediate Transfer, Active Site Proximity, and Ion Exchange in Zeolites. Chemical Science, 16, 10106-10118. https://doi.org/10.1039/D5SC01653C.

35. D. Kang*, N. Suphavilai*, A. Mohamed, I. Economou, M. Shetty, J. Kim, & H-K. Jeong (2025). Thermally-induced Phase Transformations of CALF-20: Insights into Its Phase Stability and Carbon Capture Properties. Journal of Materials Chemistry A, 13, 18892-18899. (*- equally contributing authors). https://doi.org/10.1039/D5TA01729G.

34. J. Mangalindan, F. Mahnaz, J. Vito, N. Suphavalai, & M. Shetty* (2025). Tandem Cu/ZnO/ZrO2-SAPO-34 System for Dimethyl Ether (DME) Synthesis from CO2 and H2: Catalyst Optimization, Techno-Economic and Carbon-Footprint Analyses. ACS Engineering Au, 5, 3, 267–283. https://doi.org/10.1021/acsengineeringau.5c00008.

33. R. Helmer, S. Borkar, A. Li, F. Mahnaz, J. Vito, M. Bishop, A. Iftakher, M.M. F. Hasan, S. Rangarajan, & M. Shetty* (2025). Tandem methanolysis and catalytic transfer hydrogenolysis of polyethylene terephthalate to p-xylene over Cu/ZnZrOx catalysts. Angewandte Chemie International Edition, 64, e202416384. https://doi.org/10.1002/anie.202416384.

32. F. Mahnaz, B. Dharmalingam, J. Mangalindan, J. Vito, J. J. Varghese, & M. Shetty* (2024). Metal Cation Exchange in Zeolitic Acid Sites Modulates Hydrocarbon Pool Propagation in CO2 Hydrogenation. Chem Catalysis, 5, 101183. https://doi.org/10.1016/j.checat.2024.101183.

2024

31. S. Borkar, J. Vito, & M. Shetty* (2024). Microwave-heated solvent extraction and catalysis for end-of-life tire decontamination (News and Views). Nature Chemical Engineering, 1, 561-562. https://10.1038/s44286-024-00114-5.

30. S. Borkar and M. Shetty* (2024). Density Functional Theory Investigation into Modulating Surface-Adsorbate Interactions with Strain for Ammonia Synthesis on Pd (111) Surface.The Journal of Physical Chemistry C, 128, 31, 12916-12930. https://doi.org/10.1021/acs.jpcc.4c01112.

29. F. Mahnaz, J. Mangalindan, J.Vito, R. Helmer, & M. Shetty* (2024). Influence of acid strength of isostructural chabazite (CHA) framework zeolites/zeotypes on the mechanism of tandem CO2 hydrogenation. Journal of Catalysis, 434, 115518. https://doi.org/10.1016/j.jcat.2024.115518

28. A. Livescu, R. Navar, J. R. Mangalindan, F. Mahnaz, Y. Ge, M. Shetty, & X. Yang.* (2024). Catalysts for Clean Energy: A Review on Current Progress for the Catalyzed Recycling of CO2 into Dimethyl Ether. Topics in Catalysis. Accepted. https://doi.org/10.1007/s11244-024-01913-z

27. F. Mahnaz, J. Mangalindan, B. Dharmalingam, J. Vito, Y-T, Lin, M. Akbulut, J. J. Varghese, & M. Shetty* (2024). Intermediate Transfer Rates and Solid-State Ion Exchange are Key Factors Determining the Bifunctionality of a Tandem CO2 Hydrogenation Catalyst . ACS Sustainable Chemistry and Engineering, 12, 13, 5197-5210. https://doi.org/10.1021/acssuschemeng.3c08250

26. J. Vito, & M. Shetty* (2024). Challenges and opportunities for exploiting the role of zeolite confinements for the selective hydrogenation of acetylene. ACS Applied Materials and Interfaces. 16, 49, 67010–67027. https://doi.org/10.1021/acsami.3c11935. (Early Career Forum 2024)

2023

25. F. Mahnaz, V. Dunlap, R. Helmer, S. Borkar, R. Navar, X. Yang, & M. Shetty* (2023). Selective Valorization of CO2 towards Valuable Hydrocarbons through Methanol mediated Tandem Catalysis. ChemCatChem. 15 (17), e202300402. https://doi.org/10.1002/cctc.202300402 (Featured Article on Catalysis Talents)

24. S. Borkar, R. Helmer, S. Panicker & M. Shetty* (2023). Investigation into the Reaction Pathways and Catalyst Deactivation for Polyethylene Hydrogenolysis over Silica-supported Cobalt Catalysts. ACS Sustainable Chemistry and Engineering, 11 (27), 10142-10157. (Emerging Investigators’ Research and Opinions on Sustainable Chemistry and Engineering)

23. R. Helmer & M. Shetty* (2023). Towards a Unified Metric of Catalyst Comparison in Polymer Hydrogenolysis. 3 (5), 100585 Chem Catalysis.

2022

22. S. Borkar, R. Helmer, F. Mahnaz, W. Majzoub, W. Mahmoud, M. Al-Rawashdeh & M. Shetty* (2022). Enabling resource circularity through thermo-catalytic and solvent based conversion of waste plastics. Chem Catalysis, 2, 3320-3356. (Emerging Investigators Issue)

Before Texas A&M University

21. R. C.A. Ela, J. Barroso, G. Kumar, K. Gawande, S. Brauer, M. Shetty, X. Li, W. Fan, B. Vlaisavljevich, Paul J. Dauenhauer (2023). Sulfurous Zeosils for Dehydra-Decyclization of Tetrahydrofuran to Renewable Butadiene. Green Chemistry, 26, 1430-1442. https://doi.org/10.1039/D3GC03090C (2023 Green Chemistry Hot Articles)

20. Yuxiao Wu, Manish Shetty, Kechun Zhang, & P. J. Dauenhauer (2022). Sustainable Hybrid Route to Renewable Methacrylic Acid via Biomass-Derived Citramalate. ACS Engineering Au, 2 (2), 92-102.

19. Y. Pang, M. A. Ardagh, M. Shetty, A. Chatzidimitriou, G. Kumar, B. Vlaisavljevish & P. J. Dauenhauer (2021). On the Spatial Design of Co-fed Amines for Selective Dehydration of Methyl Lactate to Acrylates. ACS Catalysis, 11 (9), 5718-5735.

18. F. Chen, M. Shetty, M. Wang, H. Shi, Y. Liu, D. M. Camaioni, O. Y. Gutierrez, & J. A. Lercher (2021). Differences in Mechanism and Rate of Zeolite-Catalyzed Cyclohexanol Dehydration in Apolar and Aqueous Phase. ACS Catalysis, 11 (5), 2879-2888.

17. A. Naik, K. Joseph, M. Shetty, M.A.Ardagh & P. J. Dauenhauer (2020). Kinetics of 2-Methylfuran Acylation with Fatty Acid Anhydrides for Biorenewable Surfactants. ACS Sustainable Chemistry & Engineering , 8 (50), 18616-18625.

16. M. Shetty*, A. Walton*, S. Gathmann*, M.A. Ardagh, J. Gopeesingh, J. Resasco, D.G. Vlachos, T. Birol, Q. Zhang, P. Cristopher, D. Frisbie, O. A. Abdelrahman, & P.J. Dauenhauer (2020). The Catalytic Mechanics of Dynamic Surfaces: Stimulating Methods for Promoting Catalytic Resonance. ACS Catalysis, 10 (21), 12666-12695. (*equally contributing authors)

15. M. Shetty, H. Wang, F. Chen, N. Jaegers, Y. Liu, D.M. Camaioni, O. Y. Gutierrez, & J. A. Lercher (2021). Directing the Rate-Enhancement for Hydronium-ion Catalyzed Dehydration of Alkanols in Nanoscopic Confinements. Angewandte Chemie International Edition, 60, 2304-2311.

14. M. Shetty, M.A. Ardagh, Y. Pang, O.A. Abdelrahman & P. J. Dauenhauer (2020). Electric field assisted modulation of surface thermochemistry. ACS Catalysis, 10 (21), 12867-12880.

13. D. Barpaga*, M. Shetty*, J. Zheng, H. Wang, B.P. McGrail & R. K. Motkuri. Transition Metal Nitroprussides Examined for Water and Fluorocarbon Sorption. Inorganic Chemistry, 59 (21), 15620-15625, 2020 . (*equally contributing authors)

12. J. Gopeesingh, M.A. Ardagh, M. Shetty, S. Burke, P.J. Dauenhauer & O.A. Abdelrahman. Resonance Promoted Formic Acid Oxidation via Dynamic Electrocatalytic Modulation. ACS Catalysis, 10, 9932-9942, 2020.

11. M.A. Ardagh, M. Shetty, A. Kuznetsov, Q. Zhang, P. Christopher, D.G. Vlachos, O.A. Abdelrahman & P.J. Dauenhauer. Catalytic Resonance Theory: Parallel Reaction Pathway Control. Chemical Science, 11, 3501-3510. 2020. (featured in Science Daily and Chemistry World)

10. J. Zheng, D. Barpaga, B.A. Trump, M. Shetty, Y. Fan, P. Bhattacharya, J. J. Jenks, C-Y Su, C.M. Brown, G. Maurin, B.P. McGrail, R.K. Motkuri. Molecular Insight into fluorocarbon uptake in pore-engineered metal organic frameworks for adsorption cooling. Journal of American Chemical Society, 142, 3002-3012, 2020.

9. M. Shetty, E. Anderson, W.H. Green & Y. Román-Leshkov. Kinetic analysis and reaction mechanism for anisole conversion over zirconia-supported molybdenum oxide catalysts. Journal of Catalysis, 376, 248-257, 2019.

8. M. Shetty, D. Zanchet, W.H. Green & Y. Román-Leshkov. Cooperative Co(0)/Co(II) sites stabilized by perovskite matrix enable selective C-O and C-C hydrogenolysis of oxygenated arenes. ChemSusChem, 12, 2171-2175, 2019.

7. T. Iida, M. Shetty, K, Murugappan, Z. Wang, K. Ohara, T. Wakihara & Y. Román-Leshkov. Encapsulation of molybdenum carbide nanoclusters inside zeolite micropores enables synergistic bifunctional catalysis for anisole hydrodeoxygenation. ACS Catalysis, 7, 8147–8151, 2017.

6. M. Shetty, B. Buesser, Y. Román-Leshkov, & W.H. Green. Computational investigation of hydrodeoxygenation (HDO) of acetone to propylene on a-MoO3 (010) surface. The Journal of Physical Chemistry C, 121 (33), 17848–17855, 2017.

5. M. Shetty, K. Murugappan, W.H. Green, & Y. Román-Leshkov. Surface structure and reactivity trends on supported molybdenum oxide on zirconia catalysts for hydrodeoxygenation (HDO) of anisole. ACS Sustainable Chemistry and Engineering, 5(6), 5293–5301, 2017. (selected for front cover)

4. K. Murugappan, C. Mukarakate, S. Budhi, M. Shetty, M.R. Nimlos, & Y. Román-Leshkov. Supported molybdenum oxides as effective catalysts for the catalytic fast pyrolysis of lignocellulosic biomass. Green Chemistry, 18, 5548-5557, 2016.

3. M. Shetty*, K. Murugappan*, T. Prasomsri, W.H. Green, & Y. Román-Leshkov. Reactivity and stability investigation of supported molybdenum oxide catalysts for the hydrodeoxygenation of m-cresol. Journal of Catalysis, 331, 86-97, 2015. (*equally contributing authors)

2. T. Prasomsri, M. Shetty, K. Murugappan, & Y. Román-Leshkov. Insights into the catalytic activity and surface modification of MoO3 during the hydrodeoxygenation of lignin-derived model compounds into aromatic hydrocarbons under low hydrogen pressures. Energy and Environmental Science, 7, 2660-2669, 2014. (selected for inside back cover)

1. M. Shetty, A.A. Pawar, A. Mehra, C. Venkataraman. Aerosol synthesis of lipid nanoparticles: Relating crystallinity to simulated evaporation rates. Aerosol Science and Technology, 46 (5), 569-575, 2012.

PATENT

Y. Román-Leshkov, M. Shetty, W.H. Green, C. Hetrick & J. Shabaker (2019). Perovskite-catalyzed hydrogenolysis of heteroatom-containing compounds. US Patent App. US20190016646A1.

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