Hibbitts Catalysis Lab

Endeavor to Understand Catalysts
at the Molecular Level
by Combining Kinetic and Isotopic Experiments with
Computational Chemistry

Simplify DFT Workflows
and Overcome Technical Barriers
by Developing a
Computational Catalysis Interface (CCI)

We are hiring two Post-docs to work on an ExxonMobil-funded project.
More details: here. Apply by emailing hibbitts@ufl.edu

C1 Upgrading


Fischer-Tropsch  Synthesis

Methane Activation

Biomass/Oil Upgrading

Alkane  Cracking

Biomass Hydrodeoxygenation

Denitrification, Desulfurization


Curved,  Crowded,
and  Supported  Metals

Global  Minimization of Zeolite
Frameworks and Adsorbates

Periodic  Trends and
Substituent  Effects

Contact Info

Hibbitts Office
CHE 221
Student Office
CHE 227
Kinetics Lab
CHE 230

Recent Publications
(View All)


46. R.G. Rao, R. Blume, M. Greiner, A. Knop-Gericke, R. Schlögl, T. W. Hansen, K. Dreyer, D. D. Hibbitts, and J. Tessonnier “Evidence for Tunable Electronic Metal-Support Interactions in Carbon-Supported Palladium Catalysts” Submitted (2021)

45. S. Leung, D. Hibbitts, M. Garcia-Dieguez, and E. Iglesia “Binding and Exchange Reactions of Hydrogen Isotopes on Surfaces of Dispersed Pt Nanoparticles” Submitted (2021)

44. M. DeLuca and D. Hibbitts “Predicting diffusion barriers and diffusivities of C6–C12 methylbenzenes in MFI zeolites” Submitted (2021)

43. G. Marsden, P. Kostetskyy, R. Sekiya, A. Hoffman, S. Lee, R. Gounder, D. Hibbitts, and L. Broadbelt “Quantifying effects of active site proximity on rates of methanol dehydration to dimethyl ether over CHA zeolites through microkinetic modeling” ACS Mater. Au Accepted (2021)

42. E. Iglesia and D. Hibbitts “The Fischer-Tropsch synthesis: A few enduring mechanistic conundrums revisited” J. Catal. In Press (2021)

41. A. Hoffman, C. Asokan, N. Gadinas, P. Kravchenko, A. Getsoian, P. Christopher, D. Hibbitts “Theoretical and experimental characterization of adsorbed CO and NO on γ-Al2O3-supported Rh nanoparticles” J. Phys. Chem. C 125 (2021) 19733

40. L. Kilburn, M. DeLuca, A. Hoffman, S. Patel, and D. Hibbitts “Comparing Alkene Disproportionation and Formaldehyde-mediated Diene Formation Routes in Methanol-to-Olefins Catalysis in MFI and CHA” J. Catal. 400 (2021) 124

39. E. Yik, D. Hibbitts, H. Wang, and E. Iglesia “Hydrogenation and C-S bond activation pathways in thiophene and tetrahydrothiophene reactions on sulfur-passivated surfaces of Ru, Pt, and Re nanoparticles” Appl. Catal. B 291 (2021) 119797


38. V. Mehar, A. Almithn, T. Egle, M.-H. Yu, C. O'Connor, M. Karatok, R. Madix, D. Hibbitts, and J. Weaver “Oxophilicity Drives Oxygen Transfer at a Palladium-Silver Interface for Increased CO Oxidation Activity” ACS Catal. 10 (2020) 13878

37. C. Nimlos, A. Hoffman, Y. G. Hur, B. J. Lee, J. Di Iorio, D. Hibbitts, and R. Gounder “Experimental and Theoretical Assessments of Aluminum Proximity in MFI Zeolites and its Alteration by Organic and Inorganic Structure-Directing Agents” Chem Mater. 32 (2020) 9277.

36. A. Hoffman, J. Bates, J. Di Iorio, S. Nystrom, C. Nimlos, R. Gounder, and D. Hibbitts “Rigid Arrangements of Ionic Charge in Zeolite Frameworks Conferred by Specific Al Distributions Preferentially Stabilize Alkanol Dehydration Transition States” Angew. Chemie Int. Ed. 59 (2020) 18686.