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David Hibbitts - Publications

Affiliations: 
University of Florida, Gainesville, Gainesville, FL, United States 
Area:
Heterogeneous Catalysis
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36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Marsden G, Kostetskyy P, Sekiya RS, Hoffman A, Lee S, Gounder R, Hibbitts D, Broadbelt LJ. Quantifying Effects of Active Site Proximity on Rates of Methanol Dehydration to Dimethyl Ether over Chabazite Zeolites through Microkinetic Modeling. Acs Materials Au. 2: 163-175. PMID 36855771 DOI: 10.1021/acsmaterialsau.1c00057  0.787
2020 Hoffman AJ, Bates JS, Di Iorio JR, Nystrom SV, Nimlos CT, Gounder R, Hibbitts D. Rigid Arrangements of Ionic Charge in Zeolite Frameworks Conferred by Specific Al Distributions Preferentially Stabilize Alkanol Dehydration Transition States. Angewandte Chemie (International Ed. in English). PMID 32659034 DOI: 10.1002/Anie.202007790  0.77
2020 Allen MC, Hoffman AJ, Liu T, Webber MS, Hibbitts D, Schwartz TJ. Highly Selective Cross-Etherification of 5-Hydroxymethylfurfural with Ethanol Acs Catalysis. 10: 6771-6785. DOI: 10.1021/Acscatal.0C01328  0.67
2020 Almithn AS, Hibbitts DD. Impact of Metal and Heteroatom Identities in the Hydrogenolysis of C–X Bonds (X = C, N, O, S, and Cl) Acs Catalysis. 10: 5086-5100. DOI: 10.1021/acscatal.0c00481  0.774
2019 Witzke ME, Almithn AS, Coonrod CL, Triezenberg MD, Hibbitts DD, Flaherty DW. In situ Methods for Identifying Reactive Surface Intermediates during Hydrogenolysis Reactions: C-O Bond Cleavage on Nanoparticles of Nickel and Nickel Phosphides. Journal of the American Chemical Society. PMID 31557006 DOI: 10.1021/Jacs.9B06112  0.793
2019 DeLuca M, Kravchenko P, Hoffman A, Hibbitts D. Mechanism and Kinetics of Methylating C6–C12 Methylbenzenes with Methanol and Dimethyl Ether in H-MFI Zeolites Acs Catalysis. 9: 6444-6460. DOI: 10.1021/Acscatal.9B00650  0.741
2019 Hoffman A, DeLuca M, Hibbitts D. Restructuring of MFI Framework Zeolite Models and Their Associated Artifacts in Density Functional Theory Calculations The Journal of Physical Chemistry C. 123: 6572-6585. DOI: 10.1021/Acs.Jpcc.8B12230  0.72
2019 Almithn A, Hibbitts D. Comparing Rate and Mechanism of Ethane Hydrogenolysis on Transition-Metal Catalysts The Journal of Physical Chemistry C. 123: 5421-5432. DOI: 10.1021/Acs.Jpcc.8B11070  0.773
2019 García-Diéguez M, Hibbitts DD, Iglesia E. Hydrogen Chemisorption Isotherms on Platinum Particles at Catalytic Temperatures: Langmuir and Two-Dimensional Gas Models Revisited The Journal of Physical Chemistry C. 123: 8447-8462. DOI: 10.1021/Acs.Jpcc.8B10877  0.519
2019 Di Iorio JR, Hoffman AJ, Nimlos CT, Nystrom S, Hibbitts D, Gounder R. Mechanistic origins of the high-pressure inhibition of methanol dehydration rates in small-pore acidic zeolites Journal of Catalysis. 380: 161-177. DOI: 10.1016/J.Jcat.2019.10.012  0.774
2018 Cordon MJ, Harris JW, Vega-Vila JC, Bates JS, Kaur S, Gupta M, Witzke ME, Wegener EC, Miller JT, Flaherty DW, Hibbitts DD, Gounder R. The Dominant Role of Entropy in Stabilizing Sugar Isomerization Transition States within Hydrophobic Zeolite Pores. Journal of the American Chemical Society. PMID 30265002 DOI: 10.1021/Jacs.8B08336  0.743
2018 Nystrom S, Hoffman A, Hibbitts D. Tuning Brønsted Acid Strength by Altering Site Proximity in CHA Framework Zeolites Acs Catalysis. 8: 7842-7860. DOI: 10.1021/Acscatal.8B02049  0.721
2018 Almithn A, Hibbitts D. Effects of Catalyst Model and High Adsorbate Coverages in ab Initio Studies of Alkane Hydrogenolysis Acs Catalysis. 8: 6375-6387. DOI: 10.1021/Acscatal.8B01114  0.794
2018 Witzke ME, Almithn A, Coonrod CL, Hibbitts DD, Flaherty DW. Mechanisms and Active Sites for C–O Bond Rupture within 2-Methyltetrahydrofuran over Ni, Ni12P5, and Ni2P Catalysts Acs Catalysis. 8: 7141-7157. DOI: 10.1021/Acscatal.7B04403  0.788
2018 Almithn AS, Hibbitts DD. Supra-monolayer coverages on small metal clusters and their effects on H2 chemisorption particle size estimates Aiche Journal. 64: 3109-3120. DOI: 10.1002/AIC.16110  0.758
2017 Liu J, Hibbitts D, Iglesia E. Dense CO Adlayers as Enablers of CO Hydrogenation Turnovers on Ru Surfaces. Journal of the American Chemical Society. PMID 28825476 DOI: 10.1021/Jacs.7B04606  0.571
2017 Neurock M, Tao Z, Chemburkar A, Hibbitts DD, Iglesia E. Theoretical insights into the sites and mechanisms for base catalyzed esterification and aldol condensation reactions over Cu. Faraday Discussions. PMID 28332665 DOI: 10.1039/C6Fd00226A  0.795
2016 Hibbitts DD, Flaherty DW, Iglesia E. Role of Branching on the Rate and Mechanism of C-C Cleavage in Alkanes on Metal Surfaces Acs Catalysis. 6: 469-482. DOI: 10.1021/Acscatal.5B01950  0.738
2016 Hibbitts DD, Flaherty DW, Iglesia E. Effects of Chain Length on the Mechanism and Rates of Metal-Catalyzed Hydrogenolysis of n-Alkanes Journal of Physical Chemistry C. 120: 8125-8138. DOI: 10.1021/Acs.Jpcc.6B00323  0.732
2016 Hibbitts D, Neurock M. Promotional effects of chemisorbed oxygen and hydroxide in the activation of C–H and O–H bonds over transition metal surfaces Surface Science. 650: 210-220. DOI: 10.1016/J.Susc.2016.01.012  0.634
2016 Hibbitts D, Dybeck E, Lawlor T, Neurock M, Iglesia E. Preferential activation of CO near hydrocarbon chains during Fischer-Tropsch synthesis on Ru Journal of Catalysis. 337: 91-101. DOI: 10.1016/J.Jcat.2016.01.010  0.652
2015 Gürbüz EI, Hibbitts DD, Iglesia E. Kinetic and Mechanistic Assessment of Alkanol/Alkanal Decarbonylation and Deoxygenation Pathways on Metal Catalysts. Journal of the American Chemical Society. 137: 11984-95. PMID 26356575 DOI: 10.1021/Jacs.5B05361  0.554
2015 Hibbitts D, Iglesia E. Prevalence of Bimolecular Routes in the Activation of Diatomic Molecules with Strong Chemical Bonds (O2, NO, CO, N2) on Catalytic Surfaces. Accounts of Chemical Research. 48: 1254-62. PMID 25921328 DOI: 10.1021/Acs.Accounts.5B00063  0.638
2015 Hibbitts D, Iglesia E. Prevalence of bimolecular routes in the activation of diatomic molecules with strong chemical bonds (O2, NO, CO, N2) on catalytic surfaces Accounts of Chemical Research. 48: 1254-1262. DOI: 10.1021/acs.accounts.5b00063  0.507
2015 Hibbitts D, Iglesia E. ChemInform Abstract: Chemical Bonds (O2, NO, CO, N2) on Catalytic Surfaces Cheminform. 46: no-no. DOI: 10.1002/chin.201528269  0.514
2014 Flaherty DW, Hibbitts DD, Iglesia E. Metal-catalyzed C-C bond cleavage in alkanes: effects of methyl substitution on transition-state structures and stability. Journal of the American Chemical Society. 136: 9664-76. PMID 24961991 DOI: 10.1021/Ja5037429  0.712
2014 Flaherty DW, Hibbitts DD, Iglesia E. Metal-catalyzed C-C bond cleavage in alkanes: Effects of methyl substitution on transition-state structures and stability Journal of the American Chemical Society. 136: 9664-9676. DOI: 10.1021/ja5037429  0.705
2014 Hibbitts DD, Jiménez R, Yoshimura M, Weiss B, Iglesia E. Catalytic NO activation and NO-H2 reaction pathways Journal of Catalysis. 319: 95-109. DOI: 10.1016/J.Jcat.2014.07.012  0.719
2014 Hibbitts D, Tan Q, Neurock M. Acid strength and bifunctional catalytic behavior of alloys comprised of noble metals and oxophilic metal promoters Journal of Catalysis. 315: 48-58. DOI: 10.1016/J.Jcat.2014.03.016  0.551
2014 Flaherty DW, Hibbitts DD, Gürbüz EI, Iglesia E. Theoretical and kinetic assessment of the mechanism of ethane hydrogenolysis on metal surfaces saturated with chemisorbed hydrogen Journal of Catalysis. 311: 350-356. DOI: 10.1016/J.Jcat.2013.11.026  0.749
2013 Hibbitts DD, Loveless BT, Neurock M, Iglesia E. Mechanistic role of water on the rate and selectivity of Fischer-Tropsch synthesis on ruthenium catalysts. Angewandte Chemie (International Ed. in English). 52: 12273-8. PMID 24123803 DOI: 10.1002/Anie.201304610  0.775
2013 Hibbitts DD, Neurock M. Influence of oxygen and pH on the selective oxidation of ethanol on Pd catalysts Journal of Catalysis. 299: 261-271. DOI: 10.1016/J.Jcat.2012.11.016  0.533
2013 Braunchweig B, Hibbitts D, Neurock M, Wieckowski A. Electrocatalysis: A direct alcohol fuel cell and surface science perspective Catalysis Today. 202: 197-209. DOI: 10.1016/J.Cattod.2012.08.013  0.503
2011 Chia M, Pagán-Torres YJ, Hibbitts D, Tan Q, Pham HN, Datye AK, Neurock M, Davis RJ, Dumesic JA. Selective hydrogenolysis of polyols and cyclic ethers over bifunctional surface sites on rhodium-rhenium catalysts. Journal of the American Chemical Society. 133: 12675-89. PMID 21736345 DOI: 10.1021/Ja2038358  0.674
2010 Zope BN, Hibbitts DD, Neurock M, Davis RJ. Reactivity of the gold/water interface during selective oxidation catalysis. Science (New York, N.Y.). 330: 74-8. PMID 20929807 DOI: 10.1126/Science.1195055  0.553
2009 Hummelshøj JS, Landis DD, Voss J, Jiang T, Tekin A, Bork N, Du?ak M, Mortensen JJ, Adamska L, Andersin J, Baran JD, Barmparis GD, Bell F, Bezanilla AL, Bjork J, ... ... Hibbitts D, et al. Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project. The Journal of Chemical Physics. 131: 014101. PMID 19586090 DOI: 10.1063/1.3148892  0.334
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