Greeley, J.

Authored

(212e) Impact of Cathode/Solvent Interfaces on the Electrochemical Performance of Na-O2 Batteries.
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)
(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)
(521dt) Non-Mean Field Approaches for Surface Catalysis: Analytical Description of Adsorbate-Adsorbate Interactions
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)
(663e) Active Learning Workflow for Discovery of Stable Ternary Alloys from Binary Alloy Data
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(478c) In-Situ Structure Dependent Water Oxidation Activity on Iridium Oxide Single Crystal Surfaces
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)
(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)
(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)
(418c) First-Principles Modeling of Discharge Product Surface Thermodynamics in Na-O2 Batteries
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)
(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)
(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)
(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)
(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)
(527e) Determining Solvation Energies for Aqueous-Phase Reaction Adsorbates Using Ab-Initio Molecular Dynamic Simulations
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)
(619c) Stability of Metal Oxides on Metal Nanoparticles and Its Impact on Oxygen Reduction Reaction.
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)
(477g) First-Principles Analysis of the Ammonia Decomposition Reaction on High Entropy Alloycatalysts
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(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
(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)
(645c) Applying Automated Reaction Prediction to Heterogeneous Catalysis Problems
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)
(371c) Using Surface Thermochemistry and Band Alignment to Stabilize Interfaces in Solid-State Batteries
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(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)
(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)
(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)
(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)
(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)
(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)
(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)
(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)
(45b) High Throughput Screening of Alloy Structures for Propane Dehydrogenation Reaction
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)
(488a) Grand Canonical Evolutionary Algorithm-Based Approach for Investigating Catalyst Surface Morphology
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)
(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)
(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)
(186d) Indium (Hydroxy)Oxide Films on Platinum Nanoparticles for CO Electrooxidation
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)
(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)
(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)
(513cb) Density Functional Theory Analysis of Trends in Propane Dehydrogenation on Palladium Alloys
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)
(530f) Structural and Electronic Analysis of Chalcogenide-Functionalized Gold Nanoparticles from First Principles
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(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)

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