Publications
Barton, D.G., Bhan, A., Deshlahra, P., Gounder, R., Hibbitts, D., Kilos, B.A., Noh, G., Notestein, J.M., Sarazen, M.L. and Soled, S.L., 2024. A Career in Catalysis: Enrique Iglesia. ACS Catalysis, 14, pp.10583-10613. https://doi.org/10.1021/acscatal.4c02557
R. T. Hannagan, H. Y. Lam, R. Réocreux, Y. Wang, A. Dunbar, V. Lal, V. Çınar, Y. Chen, P. Deshlahra, M. Stamatakis,* N. M Eagan,* E. C. H. Sykes,* "Investigating Spillover Energy as a Descriptor for Single-Atom Alloy Catalyst Design," J. Phys. Chem. Lett. 2023, 14, 10561-10569. https://doi.org/10.1021/acs.jpclett.3c02551
D. A Patel, G. Giannakakis, G. Yan, H. T. Ngan, P. Yu, R. T. Hannagan, P. L Kress, J. Shan, P. Deshlahra, P. Sautet,* E C. H Sykes,* "Mechanistic Insights into Nonoxidative Ethanol Dehydrogenation on NiCu Single-Atom Alloys," ACS Catal. 2023, 13, 4290-4303. https://doi.org/10.1021/acscatal.3c00275
S. Godoy, P. Deshlahra,* F. Villagra-Soza, A. Karelovic, R. Jimenez,* “Effects of Site Geometry and Local Composition on Hydrogenation of Surface Carbon to Methane on Ni, Co, and NiCo Catalysts,” Catalysts 2022, 12, 1380. https://doi.org/10.3390/catal12111380
W. Yan, Q. Xing, Ouyang Guo, Hao Feng, Heyuan Liu, Prashant Deshlahra*, Xiyou Li*, Yanli Chen,* “A Combination of "Push Effect" Strategy with "Triple-Phase-Boundary Engineering" on Iron Porphyrin-Based MOFs: Enhanced Selectivity and Activity for Oxygen Reduction,” ACS Appl. Mater. Interfaces 2022, In press. https://doi.org/10.1021/acsami.2c12074
R. Yao, J. Pinals, R. Dorakhan, J. E. Herrera,* M. Zhang, P. Deshlahra,* Y.-H. Chin,* "Cobalt-Molybdenum Oxides for Effective Coupling of Ethane Activation and Carbon Dioxide Reduction Catalysis," ACS Catal. 2022, 12, 12227. https://doi.org/10.1021/acscatal.2c02525
H. Khanna, A. Mirich, A. Twombly, Y. Dang, A. Shirazi-Amin, I. Perera, Y. Liu, L. Posada, P. Deshlahra,* S. Suib,* "Assessment of Micropore Accessibility for Hydrocarbon Oxidation in Manganese Oxide Sieves," Appl. Catal. A 2022, 635, 118557. https://doi.org/10.1016/j.apcata.2022.118557
L. A. Cramer, A. S. Daniels, V. Çinar, P. Deshlahra, E. C. H. Sykes,* "Selective Epoxidation of 1,3-butadiene on AgCu Near Surface Alloys," J Phys Chem. C 2022, 126, 13088-13093. https://doi.org/10.1021/acs.jpcc.2c01912
L. A. Cramer, P. Deshlahra, E. C. H. Sykes,* "Mechanistic Insights into the Oxidation of Catalytically Relevant AgCu Near-Surface Alloy Interfaces," Aggregate, 2022, e133. https://doi.org/10.1002/agt2.133
Y. Liu, C. J. McGill, W. H. Green, P. Deshlahra,* "Effects of Surface Species and Homogeneous Reactions on Rates and Selectivity in Ethane Oxidation on Oxide Catalysts," AIChE J. 2021, 67:e17483. https://doi.org/10.1002/aic.17483 (Invited article for 2021 Futures Issue)
P. Yu, Y. Liu, P. Deshlahra, H. Wong,* "Detailed Kinetic Modeling of NOx-Mediated Oxidative Dehydrogenation of Propane," Ind. Eng. Chem. Res. 2021, 60, 13553–13561. https://doi.org/10.1021/acs.iecr.1c02635
R.T. Hannagan, G. Giannakakis, R. Réocreux, J. Schumann, J. Finzel, Y. Wang, A. Michaelides, P. Deshlahra, P. Christopher, M. Flytzani-Stephanopoulos, M. Stamatakis,* E. C. H. Sykes,* "First-principles design of a single-atom–alloy propane dehydrogenation catalyst," Science 2021, 372, 1444–1447. https://doi.org/10.1126/science.abg8389
T. A. Balema, Y. Liu, N. A. Wasio, A. M. Larson, D. A. Patel, P. Deshlahra* and E. C. H. Sykes,* "Enantioselective Effects in the Electrical Excitation of Amine Single Molecule Rotors," J. Phys. Chem. C. 2021, 125, 3584–3589. https://doi.org/10.1021/acs.jpcc.0c10767
Y. Liu,e A. Twombly,e Y. Dang, A. Mirich, S. L. Suib,* P. Deshlahra,* "Roles of Enhancement of C-H Activation and Diminution of C-O Formation Within M1-Phase Pores in Propane Selective Oxidation," ChemCatChem 2021, 13, 882-899. https://doi.org/10.1002/cctc.202001642 (Cover Feature: https://doi.org/10.1002/cctc.202001984) (Special Issue: Catalysis in Confined Spaces)
Z. Zha, P. Deshlahra,* "Mechanistic Framework and Effects of High Coverage in Vinyl Acetate Synthesis," ACS Catal. 2021, 11, 3, 1841–1857. https://dx.doi.org/10.1021/acscatal.0c03673
Z. Zha, G. Giannakakis, P. Deshlahra,* "Catalytic Routes and Mechanisms for Vinyl Acetate Synthesis," Catalysis 2021, 33, 87-113. https://doi.org/10.1039/9781839163128-00087
L. Annamalai,e S. Ezenwa,e Y. Dang, H. Tan, S. L. Suib,* P. Deshlahra,* "Comparison of Structural and Catalytic Properties of Monometallic Mo and V Oxides and M1 Phase Mixed Oxides for Oxidative Dehydrogenation," Catal. Today 2021, 368, 28-45 https://doi.org/10.1016/j.cattod.2020.04.046 (Special Issue: Catalytic Conversion of Low-Carbon and Sustainable Resources)
L. A. Cramer,e Y. Liu,e P. Deshlahra,* E. Charles H. Sykes,* "Dynamic Restructuring Induced Oxygen Activation on AgCu Near Surface Alloys," J. Phys. Chem. Lett. 2020 11, 5844–5848. https://doi.org/10.1021/acs.jpclett.0c00887
P. Deshlahra,* E. Iglesia,* "Reactivity descriptors in acid catalysis: acid strength, proton affinity and host–guest interactions," Chem. Commun. 2020, 56, 7371-7398. (Feature Article) (Journal front cover) https://doi.org/10.1039/d0cc02593c
H. Adamji, M. Stevens, K. Grossklaus, T. Vantervelde, P. Deshlahra,* "Density Functional Theory Analysis on the Effect of Structural Configurations on the Stability of GaAsBi Compounds," Comput. Mater. Sci. 2020, 173, 109401. https://doi.org/10.1016/j.commatsci.2019.109401
Y. Liu, L. Annamalai, P. Deshlahra,* "Effects of Lattice O Atom Coordination and Pore Confinement on Selectivity Limitations for Ethane Oxidative Dehydrogenation Catalyzed by Vanadium-Oxo Species," J. Phys. Chem. C 2019, 123, 46, 28168-28191. https://pubs.acs.org/doi/10.1021/acs.jpcc.9b07778
L. Annamalai, Y. Liu and P. Deshlahra,* "Selective C-H Bond Activation via NOx Mediated Generation of Strong H-Abstractors," ACS Catal. 2019, 9, 10324−10338. https://doi.org/10.1021/acscatal.9b03862
S. Kwon, P. Deshlahra and E. Iglesia, "Reactivity and Selectivity Descriptors of Dioxygen Activation Routes on Metal Oxides," J. Catal. 2019, 377, 692-710. https://doi.org/10.1016/j.jcat.2019.07.048
L. Annamalai,e Y. Liu,e S. Ezenwa, Y. Dang, S. L. Suib and P. Deshlahra,* "Influence of Tight Confinement on Selective Oxidative Dehydrogenation of Ethane on MoVTeNb Mixed Oxides," ACS Catal. 2018, 8, 7051-7067. (e equal contribution) doi:10.1021/acscatal.8b01586
S. Kwon, P. Deshlahra and E. Iglesia, "Dioxygen Activation Routes in Mars-van Krevelen Redox Cycles Catalyzed by Metal Oxides," J. Catal. 2018, 364, 228-247. doi: 10.1016/j.jcat.2018.05.016
A. Asok,* P. Deshlahra,* A. M. Ramachandran and A. R. Kulkarni, "ZnO Quantum Dots Promote the Formation of Photostable Enolate Tautomers and Suppress the Phototautomerism in Avobenzone," Global Challenges 2018, 1800025. doi:10.1002/gch2.201800025
P. Deshlahra,* “Chemical Functionality of Oxide Surfaces.” In Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Wandelt, K. Ed. Elsevier 2018, pp 553-559. ISBN: 9780128097397
P. Deshlahra* and A. Asok, "Mixed Metal Oxides and Catalytic Redox Cycles," In Catalysis, Eds. J. Spivey, Y. -F. Han, Royal Society of Chemistry 2017, Vol. 29, 60-93. doi:10.1039/9781788010634-00060
P. Deshlahra and E. Iglesia, "Reactivity and Selectivity Descriptors for the Activation of C–H Bonds in Hydrocarbons and Oxygenates on Metal Oxides," J. Phys. Chem. C 2016, 120, 16741-16760. doi:10.1021/acs.jpcc.6b04604
P. Deshlahra and E. Iglesia, "Toward More Complete Descriptors of Reactivity in Catalysis by Solid Acids," ACS Catal. 2016, 6, 5386-5392. doi:10.1021/acscatal.6b01402
P. Deshlahra, R. Carr, S.-H. Chai and E. Iglesia, “Mechanistic Details and Reactivity Descriptors in Oxidation and Acid Catalysis of Methanol,” ACS Catal. 2015, 5, 666-682. doi:10.1021/cs501599y
P. Deshlahra and E. Iglesia, “Methanol Oxidative Dehydrogenation on Oxide Catalysts: Molecular and Dissociative Routes and Hydrogen Addition Energies as Descriptors of Reactivity,” J. Phys. Chem. C. 2014, 118 (45), 26115-26129. doi:10.1021/jp507922u
P. Deshlahra, R. Carr and E. Iglesia, “Ionic and Covalent Stabilization of Intermediates and Transition States in Catalysis by Solid Acids,” J. Am. Chem. Soc. 2014, 136 (43), 15229-15247. doi:10.1021/ja506149c
P. Deshlahra and E. E. Wolf, “Polarized IR MEIRAS Study of Surface Orientations of CO Molecules Adsorbed On Pt Nanowires Catalysts,” J. Phys. Chem. C. 2014, 118 (16), 8369-8378. doi:10.1021/jp411784m
P. Deshlahra, J. Conway, E. E. Wolf and W. F. Schneider, “Influence of Dipole-Dipole Interactions on Coverage-Dependent Adsorption: CO and NO on Pt(111),” Langmuir 2012, 28 (22), 8408-8417. doi:10.1021/la300975s
P. Deshlahra, W. F. Schneider, G. H. Bernstein and E. E. Wolf, “Direct Control of Electron Transfer to the Surface-Adsorbate Bond on a Pt/TiO2 Catalytic Diode,” J. Am. Chem. Soc. 2011, 133 (41), 16459–16467. doi:10.1021/ja2020789
P. Deshlahra, K. Pfeifer, G. H. Bernstein and E. E. Wolf, "CO Adsorption and Oxidation Studies on Nanofabricated Model Catalysts using Multilayer Enhanced IRAS Technique," Appl. Catal. A 2011, 391 (1-2), 22-30. dx.doi.org/10.1016/j.apcata.2010.07.026
P. Deshlahra and E. E. Wolf, "Theoretical Analysis and Experimental Results of a Novel Multilayer Enhanced IRAS (MEIRAS) Method to Study CO Adsorption on Pt/SiO2/Au Thin Film Structures," J. Phys. Chem. C 2010, 114 (39), 16505-16516. doi:10.1021/jp104795x
P. Deshlahra, B. Tiwari, G. H. Bernstein, L. E. Ocola and E. E. Wolf, "FTIR Sensitivity Enhancement on Pt/SiO2/Au Layered Structures: A Novel Method for CO Adsorption Studies on Pt Surfaces," Surf. Sci. 2010, 604 (2), 79-83. doi:10.1016/j.susc.2009.10.011
P. Deshlahra, E. E. Wolf and W. F. Schneider, "A Periodic Density Functional Theory Analysis of CO Chemisorption on Pt(111) in the Presence of Uniform Electric Fields," J. Phys. Chem. A 2009, 113 (16), 4125-4133. doi:10.1021/jp810518x
P. Deshlahra, A. Mehra, D. Ghoshal, “Evolution of Bubble Size Distribution in Baked Foods,” J. Food Eng. 2009, 93, 192-199. doi:10.1016/j.jfoodeng.2009.01.016