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David Hibbitts

University of Florida

United States

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Research Interests

Physical Chemistry

Materials Chemistry

Metal Chemistry

Adsorption Science

Hydrogen Chemistry

Organic Reactions

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Articles21

Collaborators7

Fuat Celik

Associate Professor

Rutgers University

UNITED STATES

Siby Thomas

Teaching Assistant Professor

Colorado School of Mines

UNITED STATES

Pavlo Kostetskyy

University of Pittsburgh

UNITED STATES

Pei Liu

Technical University of Denmark

Jason Weaver

University of Florida

UNITED STATES

Rajamani Gounder

Purdue University

UNITED STATES

Tobias Egle

Harvard University

UNITED STATES

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David Hibbitts

`Assistant Professor

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Research Interests

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Articles21

DFT+U calculations on substitutionally doped (Ni, Cu, Zn) Mg-vanadate surfaces for the oxidative dehydrogenation of alkanes

Modified Adsorption Energies on Single-Layer IrO2 and RuO2 Films of IrO2–RuO2 Heterostructures: Localized Effect of Subsurface Metal–Oxygen Ligands

Assessing the Influence of Void Environment in MFI Zeolites on Propene Oligomerization Kinetics Using a Combined Computational and Experimental Approach

Understanding AuPd Alloy Nanoparticle Structure under Vacuum Using DFT and Monte Carlo Methods

Electronic and geometric features controlling the reactivity of Mg-vanadate and V2O5 surfaces toward the initial C–H activation of C1–C3 alkanes – A DFT+U study

Synthetic Placement of Active Sites in MFI Zeolites for Selective Toluene Methylation to <i>para</i>-Xylene

A Career in Catalysis: Enrique Iglesia

Kinetics and reaction mechanism of Pd-Catalyzed chlorobenzene hydrogenolysis

Predicting the Enthalpy of Hydrocarbon Radicals Adsorbed on Pt(111) Using Molecular Fingerprints and Machine Learning

Correction to “Brønsted Acid Strength Does Not Change for Bulk and External Sites of MFI Except for Al Substitution Where Silanol Groups Form”

Brønsted Acid Strength Does Not Change for Bulk and External Sites of MFI Except for Al Substitution Where Silanol Groups Form

Mechanisms and Kinetics of the Dehydrogenation of C6–C8 Cycloalkanes, Cycloalkenes, and Cyclodienes to Aromatics in H-MFI Zeolite Framework

Role of phosphorous in transition metal phosphides for selective hydrogenolysis of hindered C–O bonds

Experimental and Theoretical Characterization of Rh Single Atoms Supported on γ-Al2O3 with Varying Hydroxyl Contents during NO Reduction by CO

Altering the Arrangement of Framework Al Atoms in MEL Zeolites Using Mixtures of Tetrabutylammonium and Sodium Structure-Directing Agents

Oxygen-Doped Carbon Supports Modulate the Hydrogenation Activity of Palladium Nanoparticles through Electronic Metal–Support Interactions

Quantifying Effects of Active Site Proximity on Rates of Methanol Dehydration to Dimethyl Ether over Chabazite Zeolites through Microkinetic Modeling

Binding and Exchange Reactions of Hydrogen Isotopes on Surfaces of Dispersed Pt Nanoparticles

The Fischer-Tropsch synthesis: A few enduring mechanistic conundrums revisited

Theoretical and Experimental Characterization of Adsorbed CO and NO on γ-Al2O3-Supported Rh Nanoparticles

Oxophilicity Drives Oxygen Transfer at a Palladium–Silver Interface for Increased CO Oxidation Activity

Collaborators7

Fuat Celik

Siby Thomas

Pavlo Kostetskyy

Pei Liu

Jason Weaver

Rajamani Gounder

Tobias Egle

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