Manos Mavrikakis
Authored
(617cm) Predicting Surface Intermixing in Alloy Nanocatalysts from First Principles Calculations
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(547b) Thermal Stability of Shape-Controlled Pd-Pt Core-Shell Nanoparticles
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(399c) A DFT-Based Study of Pt-Catalyzed Hydrodechlorination of 1,2-Dichloroethane: Effect of Van Der Waals Interactions
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(641c) Combined DFT and Kinetic Monte Carlo Studies of Formic Acid Decomposition on Au18 Nanoclusters
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(273d) Elucidating the Role of Photons and Atmospheric Aerosols in the Reduction of Oxidized Mercury Species
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(37e) Modeling Surface-Anchored Nematic Liquid Crystals for Chemoresponsive Application
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(135b) Experimental and Theoretical Design of Novel Pt-Pd Nanocatalysts for the Oxygen Reduction Reaction
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(621ah) Trends in Formic Acid Electro-Oxidation on Model Transition Metal Surfaces: A Density Functional Theory Study
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(645a) On the Reaction Mechanism of NO Reduction By H2 on Platinum Catalysts
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(344g) The Hydrodechlorination Mechanism of 1,2-Dichloroethane over Platinum Catalysts
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(138b) A DFT Study on the Site Requirements for Hydrodesulfurization with Minimal Nitrogen Inhibition on (un)Promoted Molybdenum Sulfides
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(723a) An Integrated Theoretical and Experimental Approach to the Design of Liquid Crystal-Based Chemical Sensors
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(25c) Analyzing and Compressing the Parametric Space for Modeling and Design of Heterogeneous Catalytic Systems
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(706f) A General Optimization-Based Framework for Computational Analysis and Design of Heterogeneous Catalytic Systems
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(461c) Fundamental Mechanistic Studies of Formic Acid Decomposition on Pd: Structure Sensitivity and Surface Coverage Effects
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(561f) Surface Reconstruction of Pd Concave Icosahedra: Atomic-Scale Mechanisms from First-Principles and Experiments
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(734a) Trends in Formic Acid Electro-Oxidation on Pt and Pd Monolayers on Transition Metal Surfaces: A Theoretical and Experimental Study
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(483a) Are Undercoordinated Sites Poisoned? a Kinetic Monte Carlo Study of NO Direct Decomposition on Pt55
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(218e) First-Principles Based Design of Reaction Conditions for the Catalytic Conversion of Methane to Methanol over Cu-Exchanged SSZ-13
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(41c) Synthesis Gas Conversion over Rh-Based Catalysts Promoted By Fe and Mn
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(661a) Methane Conversion to Ethylene and Aromatics on Ptsn Catalysts
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(499f) Exploring Fundamental Properties of Fe- and Mn-Promoted Rh Catalysts for Syngas Conversion to Higher Alcohols
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(360d) Design of New Liquid Crystal-Based Systems with Improved Chemo-Responsiveness Towards the Detection of Nerve Gases
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(83e) Computational Chemistry Design of Liquid Crystal-Based Chemoresponsive Systems with Increased Water Tolerance
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(127b) Unsupported and Supported Au1-Ox-(OH)y-Naz Clusters As Stable, Single-Site Gold Catalysts
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(415d) Hydrogen Storage in Small PtPd Alloy Nanoparticles: A DFT Study
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(442f) Elucidating the Effect of Photons and Aerosols on the Physical and Chemical Transformations of Atmospheric Mercury
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(472a) Hydrodechlorination of 1,2-Dichloroethane over Ag-Pd Catalysts Prepared By Controlled Surface Reactions
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(745c) Effects of Water on the Kinetics of Acetone Hydrogenation over Metal Catalysts
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(21c) Fundamental Mechanistic Studies of Formic Acid Decomposition on Pd Catalysts
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(175h) Understanding the Orientational Behavior of Liquid Crystals on Metal Surfaces
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(166d) Computational Design of New Classes of Chemoresponsive Liquid Crystalline Systems
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(538i) Understanding Armchair Graphene Nanoribbon Growth on Mis-Cut Ge(001) Surfaces through Experiments and Density Functional Theory Calculations
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(647f) Theoretical Insights on Boron Nitride-Supported Sub-Nanometer Pd6 Clusters for Formic Acid Decomposition: The Effect of Defects
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(224a) Active Sites and Mechanisms for Vapor-Phase Decomposition of Formic Acid on Pt Catalysts
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(95f) Redox-Triggered Orientational Responses of Liquid Crystals to Ozone Gas
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(759f) Fundamental Aspects of Formic Acid Electro-Oxidation on Bimetallic Catalysts
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(727e) Transient Kinetic Analysis of Acetone Hydrogenation to Isopropanol over Platinum Catalysts: A Combined Experimental and Theoretical Approach
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(144i) Molecular Adsorbate-Triggered Orientational Transitions of Liquid Crystals on Metal Surfaces
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(698f) First-Principles Design of Nerve Agent Sensing Systems Using Chemoresponsive Liquid Crystals
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(406h) Automated Microscopic Reaction Path Analysis of Methane Dehydrogenation on Ptsn Catalysts
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(93g) Exploring Cluster-Size Effect in Catalysis: DFT Insights on Hcooh Decomposition on H-BN Supported Pd6 Sub-Nanometer Clusters
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(36a) Single Atom Catalysts Supported on Defective Hexagonal Boron Nitride: Stability and Activity for CO Oxidation
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(476b) The Impact of Support in Syngas Conversion over Rh-Mn Particles on WC
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(443h) Generalized Brønsted Evans Polanyi Relationships for Metal Surfaces from Machine Learning
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(333d) How Graphene Nanoribbons Grow during Chemical Vapor Deposition on Ge(001)
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(265e) Chemical Identity of Hydrogen Species on Sulfided Ruthenium: A Combined Theoretical and Experimental Work
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(557f) Hydrogen Adsorption- and Hydrogenation-Triggered Orientational Transitions of Liquid Crystals Adsorbed on Palladium Surfaces
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(228f) Tuning the in-Situ Stability of Single Atom Catalysts Supported on Defective Hexagonal Boron Nitride
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(372f) Mechanistic Understanding of Electrochemical Processes in Alkaline Environments
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(29i) Simulation-Driven Design of Chemoresponsive Liquid Crystal Sensors By Tuning Analyte Partitioning
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(344k) Conversion of Methane to Methanol in Cu-Exchanged SSZ-13
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(316d) From Surface Science to Powder Catalysis: Underlying Mechanistic Insights
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(509ab) The Effect of N* Coverage on the Electrocatalytic Oxidation of Ammonia on Pt(111): Insights from Theory
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(371b) Mechanistic Understanding of Electrochemical Processes in Alkaline Environments
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(481b) Controlling Formic Acid Decomposition through Alloy and Ensemble Effects on PdCu Catalysts
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(314c) Cu-Exchanged SSZ-13 in the Stepwise Conversion of Methane to Methanol
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(639c) Charge of Reactive Hydrogen at Fluid-Transition Metal or Fluid-Transition Metal Sulfide Interfaces and Their Catalytic Roles in Hydrogenation and Hydrotreating Catalysis
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(800d) Virtual Q&A: Mechanistic Understanding of Electrochemical Processes in Alkaline Environments
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(617d) Formic Acid Electro-Oxidation over Graphene-Based Single Atom Catalysts: A Case Study on Coverage Effects
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(476a) Hydrogenation Kinetics of Biomass-Derived Monomers over Transition Metal Catalysts: Combined First-Principles and Experimental Study
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(479d) Catalytic Performance Descriptors from First-Principles
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(415l) Strain Effects on Oxygen Binding and Phase Change on Pd Surfaces
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(52h) Stability and Catalytic Activity of Non-Stoichiometric Overlayers in Bimetallic Systems
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(485h) Process Design and Operation for the Flexible Electrification of Methanol Synthesis
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(478h) An Atomic-Scale View for Electrocatalysis
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(530e) The Chemistry and Kinetics of Polyvinyl Chloride (PVC) Pyrolysis
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(710c) The Effect of N* Coverage on the Electrocatalytic Oxidation of Ammonia on Pt(111): Insights from Theory
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(642c) Hydroformylation of Plastic Pyrolysis Oils: A New Route to Produce Chemicals from Plastic Waste
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(626a) Liquid Crystals Supported on Photocatalytic Surfaces
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
Associated proceedings
2016 AIChE Annual Meeting
2015 AIChE Annual Meeting Proceedings
2017 Annual Meeting
2018 AIChE Annual Meeting
2019 AIChE Annual Meeting
2020 Virtual AIChE Annual Meeting
2021 Annual Meeting
2022 Annual Meeting
2023 AIChE Annual Meeting