Jeffrey Greeley
Authored
(465d) Catalytic Consequences of Framework Polarity for Ethanol Dehydration on Sn-Beta Zeolites
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(684d) DFT Study of Trends in Reactivity at Bifunctional Interfaces: A Case Study of Water Gas Shift on Doped Au/MgO
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(469a) Support Effects in Heterogeneous Catalysis Using Au Nanoparticles on Oxides: A DFT Analysis
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(216a) Generalizing the Design Principles of Pt-Based Alloy Catalysts with Improved ORR Performance and Durability
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(661b) Geometric and Electronic Effects of Zn Promotion on Pt for Ethane Dehydrogenation
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(617g) 2-D Wulff Construction of FeOx Islands Grown on Pt(111) for Use in Catalysis
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(180e) Single-Atom Catalysts for Selective Reaction of Small Molecules, Including Alkanes
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(545a) Effects of Self-Compression On Metal Clusters
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(177d) Perspectives On Catalyst Modeling and Design From First Principles
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(389a) Understanding the Importance of High Coverages in Electro-Catalysed Reduction of NO on Pt-Sn Alloys
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(606c) Ab-Initio modeling of Site Interconversion and Microkinetic Modeling of Lewis Acid Zeolites for Butadiene Synthesis
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(504b) First Principles Modeling of Extended Solvent Structures in Defected Microporous Materials and Their Influence on the Kinetics of Lewis Acid Site Speciation
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(172b) Periodic Trends in the Morphology, Charge Distribution, and Energetics of Oxygen Vacancies on Doped MoO3 (010)
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(294f) Modeling Mechanisms of Nickel Oxide Lithiation Using First Principles Calculations and Classical Nucleation Theory
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(732e) Structure Sensitivity Analysis of Propane Dehydrogenation(PDH) on Palladium Alloys
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(83f) Atomic Layer Deposition of Protective Coatings on LiMn2O4 Cathodes
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(544gi) Electrochemical Charge Transfer Kinetics from Constrained Density Functional Theory
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(664c) Design of Multi-Functional Catalytic Interfaces from First Principles: Modelling Water Gas Shift on Pt/MgO
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(387e) Distinct Catalytic Reactivity of Sn Substituted in Framework Locations and at Defect Grain Boundaries in Sn-Zeolites
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(119d) Effects of Intrapore Hydroxyl Density on Confined Water Structures and Ethanol Dehydration Kinetics within Microporous Brønsted Acids
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(265g) First Principles Analysis of Selectivity and Durability of Pt-Based Alloys for Light Alkane Dehydrogenation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(205d) Impact of Intrinsic Surface Strain on Electrocatalytic Processes
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(81b) First Principles Studies of Supported Heterogeneous Catalysts: Water-Gas Shift Reactivity at Metal/Oxide Interfaces
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(286f) Structural Analysis of Chalcogenide-Functionalized Precious Metal Nanoparticles from First Principles
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(81c) A Resonant Inelastic X-Ray Scattering Study of Pt-Fe Intermetallic Compound Nanoparticles: Effect of Stoichiometry on the Valance Electronic Structure of Pt
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(677b) Solvation of Water and Alkanols Confined within Brønsted Acid Zeolites: Kinetic Effects of Protonated Clusters and Extended Networks
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(301a) First Principles Modeling of Interfacial Charge Transfer and Redox Chemistry in Solid State Batteries
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(714a) Ab-Initio characterization of Water Clusters at Acid Sites in Microporous Zeolites and Their Influence on Ethanol Dehydration Kinetics
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(488a) Grand Canonical Evolutionary Algorithm-Based Approach for Investigating Catalyst Surface Morphology
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(513cb) Density Functional Theory Analysis of Trends in Propane Dehydrogenation on Palladium Alloys
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(45b) High Throughput Screening of Alloy Structures for Propane Dehydrogenation Reaction
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(344r) DFT Analysis of Ethene Oligomerization on Metal Exchanged Zeolites
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(427e) A Graph Theory-Based Approach to Determine Unique Configurations of Multidentate Adsorbates and High Adsorbate Coverages for Heterogeneous Catalysis
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(186h) Elucidating Selectivity Determining Elementary Steps for Ethanol Electrooxidation on Pt (100) Via Combined Molecular Dynamics and DFT Analysis
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(490h) First-Principles Analysis of Coverage, Ensemble, and Solvation Effects on Selectivity Trends in NO Electroreduction on Pt3sn Alloys
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(294c) Mechanistic Origins of Strong Metal Support Interaction
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(334bv) Multi-Scale Modeling of Heterogeneous Catalysts Using First-Principles and Deep Learning
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(186d) Indium (Hydroxy)Oxide Films on Platinum Nanoparticles for CO Electrooxidation
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(530f) Structural and Electronic Analysis of Chalcogenide-Functionalized Gold Nanoparticles from First Principles
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(530e) First Principles Modeling of the Structure of Fe-N-C Defects in Acidic Media: Role of Oxidizing Functionalities on the Stability and Activity for ORR
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(45d) Trends in Catalyst Stability and Reactivity: Extracting Physical Insights Using Simple Data-Driven Approaches
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(82f) Engineering Catalysis at Solid–Solid Interfaces Using Non-Precious Mixed Metal Oxides for Energy Storage in Batteries
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(82g) First Principles Studies of Oxygen Cycle Electrocatalysis: Multifunctional Materials and Reactivity Trends
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(387a) A Combined Graph Theory and Machine Learning Based Method for Estimating Complex Adsorbate Configurations on Model Catalytic Surfaces
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(509an) First Principles Modeling of FeNx Clusters and Defects in Aqueous Acidic Media: Tying Structure to Site Stability and Activity for the Oxygen Reduction Reaction
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(371c) Using Surface Thermochemistry and Band Alignment to Stabilize Interfaces in Solid-State Batteries
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(645c) Applying Automated Reaction Prediction to Heterogeneous Catalysis Problems
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(296c) Active Phases, Reaction Centers and Catalytic Mechanism of Ni-Based and Co-Based Layered Double Hydroxides for the Oxygen Evolution Reaction
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(371f) A First Principles Analysis of the Potential-Dependent Reaction Mechanism of Ethanol Electrooxidation on Pt(100)
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(509ai) First-Principles Analysis of Coverage, Ensemble, and Solvation Effects on Selectivity Trends in NO Electroreduction on Pt3Sn Alloys
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(509dc) High Throughput Surface Stability Analysis of Alloy Catalysts Using Density Functional Theory and Machine Learning
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(378g) First Principles Analysis of Selectivity and Durability of Pt-Based Bimetallic Alloys for Light Alkane Dehydrogenation
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(314b) Rationalizing Ethylene Oligomerization on Single Site Ga3+ Catalysts on Amorphous Silica: A First Principles Study Combined with Microkinetic Modeling and Experiments
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(39c) Direct Methane Activation By Atomically Thin Platinum Nanolayers on Two-Dimensional Metal Carbides
2022 Spring Meeting and 18th Global Congress on Process Safety Proceedings
(418c) First-Principles Modeling of Discharge Product Surface Thermodynamics in Na-O2 Batteries
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(581d) Universal Properties of Metal-Supported Oxide Films from Scaling Relationships: Elucidation of Strong Metal Support Interactions.
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(683c) Nonoxidation Coupling of Methane over Nano-Layer Platinum Catalysts on Two-Dimensional Metal Carbides (MXenes)
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(619c) Stability of Metal Oxides on Metal Nanoparticles and Its Impact on Oxygen Reduction Reaction.
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(52c) Theoretical Insight Toward Strain Tuning of Electrocatalysts for the Hydrogen Fuel Cell Applications
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(583e) Toward a Fundamental Understanding of Catalytically-Active Phases and Reaction Mechanism of Layered Double Hydroxides for the Oxygen Evolution Reaction
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(477g) First-Principles Analysis of the Ammonia Decomposition Reaction on High Entropy Alloycatalysts
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(527e) Determining Solvation Energies for Aqueous-Phase Reaction Adsorbates Using Ab-Initio Molecular Dynamic Simulations
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(708h) First Principles Analysis of Oxidative Dehydrogenation of Ethane on Iron Sulfide Catalysts Using Sulfur As a Soft Oxidant
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(651d) Determining Effects of Interfacial Potential, pH and High Coverages on in-Situ Structure and Kinetics for CO2 Reduction on Cu(100)
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(589h) Ptoh Induced Strain on Pt(111) during Chronoamperometry between 0.6 and 1.1 VRHE: Influence on the Pt(111) Interface and Catalytic Reactivity
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(617b) Interfacial Potential, Coverage and Solvation Effects on the in-Situ Structure, Stability and Activity of Fe-N-C Catalysts during ORR
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(532ce) Probing Discharge Mechanisms in Aprotic Na-O2 Batteries and Their Implications on the Overall Cell Performance
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(478c) In-Situ Structure Dependent Water Oxidation Activity on Iridium Oxide Single Crystal Surfaces
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(2ef) Modeling Electrochemical Oxygen and Carbon Dioxide Reduction at Solid-Liquid Interfaces for Energy Conversion and Environment Protection
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(521dt) Non-Mean Field Approaches for Surface Catalysis: Analytical Description of Adsorbate-Adsorbate Interactions
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(667b) Tuning the Bulk Composition of Pt-Based High-Entropy Alloys for Improved Oxygen Reduction Activity
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(663e) Active Learning Workflow for Discovery of Stable Ternary Alloys from Binary Alloy Data
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(212e) Impact of Cathode/Solvent Interfaces on the Electrochemical Performance of Na-O2 Batteries.
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(665c) Metal-Metal, Metal-Oxide and Oxide-Oxide Interfaces in Electrochemical Energy Conversion
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(681g) Carbon-Based Catalysts for Non-Oxidative Coupling of Methane
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
Associated proceedings
2017 Annual Meeting
2013 AIChE Annual Meeting
2018 AIChE Annual Meeting
2019 AIChE Annual Meeting
2020 Virtual AIChE Annual Meeting
2021 Annual Meeting
2022 Spring Meeting and 18th Global Congress on Process Safety Proceedings
2022 Annual Meeting
2023 AIChE Annual Meeting