Alexander Hoffman Computational heterogeneous catalysis

Publications

You can also see my citations on Google Scholar. If you would like a copy of any of my articles, please email me.

†These authors contributed equally

§Undergraduate or Master student mentee

*Corresponding author

2018
  1. S. Nystrom†; A. Hoffman†; D. Hibbitts*. Tuning Brønsted acid strength by altering site proximity in CHA framework zeolites. ACS Catal., 2018. Publisher's site
2019
  1. A. Hoffman; M. DeLuca; D. Hibbitts*. Restructuring of MFI framework zeolite models and their associated artifacts in density functional theory calculations. J. Phys. Chem. C, 2019. ACS Editors’ Choice. Publisher's site
  2. M. DeLuca; P. Kravchenko; A. J. Hoffman; D. Hibbitts*. Mechanism and kinetics of methylating C6–C12 methylbenzenes with methanol and dimethyl ether in H-MFI zeolites. ACS Catal., 2019. Front Cover Feature. Publisher's site
  3. J. Di Iorio; A. J. Hoffman; C. Nimlos; S. Nystrom; D. Hibbitts*; R. Gounder*. Mechanistic origins of the high-pressure inhibition of methanol dehydration rates in small-pore acidic zeolites. J. Catal., 2019. Publisher's site
2020
  1. M. C. Allen†; A. J. Hoffman†; T-W. Liu§; M. Webber; D. Hibbitts*; T. J. Schwartz*. Highly selective cross-etherification of 5-hydroxymethylfurfural with ethanol. ACS Catal., 2019. Publisher's site
  2. A. J. Hoffman; J. S. Bates; J. R. Di Iorio; S. Nystrom; C. T. Nimlos; R. Gounder* D. Hibbitts*. Rigid Arrangements of Ionic Charge in Zeolite Frameworks Conferred by Specific Al Distributions Preferentially Stabilize Alkanol Dehydration Transition States. Angew. Chem. Int. Ed., 2020.Publisher's site
  3. C. Nimlos†; A.J. Hoffman†; Y. Hur; J. Di Iorio; D. Hibbitts*; R. Gounder*. Experimental and Theoretical Assessments of Aluminum Proximity in MFI Zeolites and its Alteration by Organic and Inorganic Structure-Directing Agents. Chem. Mater., 2020. Publisher's site
2021
  1. L. Kilburn†§; M. DeLuca†; A. J. Hoffman; S. Patel; D. Hibbitts*. Comparing Alkene Disproportionation and Formaldehyde-mediated Diene Formation Routes in Methanol-to-Olefins Catalysis in MFI and CHA. J. Catal., 2021. Publisher's site
  2. A.J. 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, 2021. Publisher's site
  3. G. Marsden; P. Kostetskyy; R. Sekiya§; A.J. Hoffman; S. Lee; R. Gounder; D. Hibbitts; and L.J. Broadbelt*. Quantifying Effects of Active Site Proximity on Rates of Methanol Dehydration to Dimethyl Ether over CHA Zeolites through Microkinetic Modeling. ACS Materials Au, 2021. Publisher's site
2022
  1. E. E. Bickel; A. J. Hoffman; S. Lee; H. E. Snider; C. T. Nimlos; N. K. Zamiechowski; D. Hibbitts; R. Gounder*. Altering the Arrangement of Framework Al Atoms in MEL Zeolites Using Mixtures of Tetrabutylammonium and Sodium Structure-Directing Agents. Chem. Mater., 2022. Publisher's site
  2. A. J. Hoffman†; C. Asokan†; N. Gadinas; E. Schroeder; G. Zakem; S. V. Nystrom; A. Getsoian; P. Christopher*; D. Hibbitts*. Experimental and theoretical characterization of Rh single-atoms supported on γ-Al2O3 with varying hydroxyl content during NO reduction by CO. ACS Catal., 2022. Publisher's site
  3. H. Balcom†§; A. J. Hoffman†; H. Locht§; D. Hibbitts*. Brønsted Acid Strength Does Not Change for Bulk and External Sites of MFI. In revision, 2022.