Jean-Sabin McEwen Citation name: McEwen, J. S. Affiliation: Washington State University State: WA Country: USA computational catalysis expert Sessions chaired or co-chaired:Atomically Dispersed Supported Metal Catalysts II2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)Atomically Dispersed Supported Metal Catalysts II2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)Catalytic Processing of Fossil and Biorenewable Feedstocks: Fuels2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling2017 Annual Meeting (ISBN: 978-0-8169-1102-8)Computational Catalysis I: Fundamentals2017 Annual Meeting (ISBN: 978-0-8169-1102-8)Computational Catalysis IV: Metal Oxides, Sulfides, Phosphides, Zeolites, Etc.2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)Confluence of Experimental and Theoretical Methods2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)Environmental Catalysis: Air Pollution Control2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)In Honor of the 2019 Practice Award Winner (Invited Talks)2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)Rational Catalyst Design I2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)Technology Transfer and Industrial-Academic Interfaces2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)Authored:(375g) Elucidating the Mechanism of Phenol Deoxygenation to Benzene on an Fe Surface: A Detailed Mechanistic Study from First PrinciplesAlyssa HensleyYongchun HongRenqin ZhangJunming SunYong WangJean-Sabin McEwen2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(12b) Characterizing the Exchange Sites in Cu-SSZ-13 and Cu-SAPO-34 during the Selective Catalytic Reduction of NOx with NH3: A Detailed Study from First PrinciplesJean-Sabin McEwenRenqin ZhangKathy HellingFeng GaoCharles H. F. PedenJanos Szanyi2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(320f) Dehydrogenation of Water Species on Ni Catalysts from First Principles: Investigations of Electric Field InfluenceJean-Sabin McEwenFanglin CheSu Ha2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)(573e) Methane Steam Reforming: Using External Electric Fields to Enhance the Catalytic Performance of Ni-Based CatalystsFanglin CheJean-Sabin McEwenSu HaJake T Gray2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(617cn) Multiple H2O and NH3 Adsorbed on Cu-SSZ-13: XANES and XES Study from First PrinciplesRenqin ZhangHui LiJanos SzanyiFeng GaoChristopher PaolucciTrunojoyo AnggaraHui LiWilliam SchneiderJean-Sabin McEwen2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(720a) Low Temperature CO Oxidation with a Single Site Pt Catalyst Supported on the “29” Cuxo/Cu(111) Surface: Elucidating the Chemical Nature of the Pt Active SitesAlyssa HensleyAndrew TherrienRenqin ZhangE. Charles H. SykesJean-Sabin McEwen2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(370e) Determining the Pd Dopant Effect on the Reducibility of Fe2O3: DFT+U or Hybrid Functionals?Alyssa HensleyYongchun HongYong WangJean-Sabin McEwen2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(520g) Developing Multi-Scale Models of Bimetallic Catalysts for the Hydrodeoxygenation of Bio-Oil CompoundsBreanna WongAlyssa HensleyPierre GaspardYong WangJean-Sabin McEwen2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(399b) A New DFT-Based Approach That More Accurately Predicts Adsorption EnergiesCharles T. CampbellJean-Sabin McEwenYe XuAlyssa HensleyEmily AnderstCarolin RiegFelix StudtKushal GhaleThanh Dang2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(611g) Surface Stabilization and Subsequent Rupturing of Co in Co-Cu Catalysts By Formation of Adsorbed Di-, Tri-, and TetracarbonylsGreg CollingeNorbert KruseJean-Sabin McEwen2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(763g) Evidence for CO Insertion in Alkane and Alkenes Production through Fischer-Tropsch ReactionNorbert KruseGreg CollingeJean-Sabin McEwenMotahare Athariboroujeny2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(547h) Enhancing the Ni/YSZ Catalytic Performance in the Activation of Methane: The Influence of the Electric Field and Interface CarbonFanglin CheSu HaJean-Sabin McEwen2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(148j) Sensitivity of XANES and XES to the local environment: Multiple adsorption of H2O and NH3 on Cu-SSZ-13Renqin ZhangHui LiChristopher PaolucciAtish A. ParekhJanos SzanyiFeng GaoTrunojoyo AnggaraHui LiWilliam F. SchneiderFabio RibeiroJean-Sabin McEwen2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(656a) Developing Multi-Scale Models of Bimetallic Catalysts for the Hydrodeoxygenation of Bio-Oil CompoundsJean-Sabin McEwenBreanna WongYong WangAlyssa HensleyGreg Collinge2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(561d) Mitigating the Oxidative Deactivation on a Multi-Faceted Fe Catalyst: A Multi-Scale Model from First PrinciplesJacob BrayGreg CollingeAlyssa HensleyYong WangJean-Sabin McEwenFanglin Che2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(269b) Probing the Site-Pairing Preference of Framework Aluminum in ZSM-5 with Ga(CH3)3Kyle GrodenZachary JonesRenqin ZhangSusannah L. ScottJean-Sabin McEwen2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(52d) Interactions of Water and Chiral Properties of a Single Site Pt "29" Cuxo/Cu(111) CatalystKyle GrodenAlyssa HensleyAndrew TherrienAlex C. SchillingRenqin ZhangE. Charles H. SykesJean-Sabin McEwen2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(699d) Probing the Catalytically Active Phase of Cobalt Fischer-Tropsch Catalysts from First Principles: Predicting High Coverage Surface Hydroxyl Conformations Under Reaction ConditionsGreg CollingeCatherine StampflNorbert KruseJean-Sabin McEwen2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(656h) Multi-Scale Models of Oxygen on Iron-Based Hydrodeoxygenation Catalysts: Elucidating the Effect of External Electric Fields and Surface DopantsJacob BrayGreg CollingeYong WangJean-Sabin McEwenCatherine Stampfl2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(650h) Increasing Activity, Reducing Coking, and Promoting Unexpected Reaction Pathways during Methane Steam Reforming By Applying Uniform Electric Fields in a Scalable ReactorJake T GraySu HaFanglin CheJean-Sabin McEwen2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(226d) Chemical Transient Kinetics in Studies of the CO Hydrogenation Mechanism over Co-Based CatalystsMotahare AthariboroujenyViacheslav IablokovNorbert KruseGreg CollingeJean-Sabin McEwen2017 Annual Meeting (ISBN: 978-0-8169-1102-8)(239e) Improved Catalytic Reactivity of PdFe Bimetallic Catalysts Towards the Deoxygenation of Phenolic Compounds: A Density Functional Theory StudyAlyssa HensleyRenqin ZhangJean-Sabin McEwenYong Wang2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)(168c) Electric Field-Induced Reactions in Fuel Cells From First PrinciplesFanglin CheJean-Sabin McEwen2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)(234d) Improving the Initial Guess for a Nudged Elastic Band Calculation By Incorporating Chemical IntuitionKyle GrodenJean-Sabin McEwen2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(352c) Protecting the Fe Active Phase from Oxidation Under Hydrodeoxygenation Conditions: Evaluating the Influence of Promoters and External Electric FieldsJacob BrayAlyssa HensleyGreg CollingeJean-Sabin McEwen2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(318h) Comparative Analysis of Surface Configurations of CO Adsorbed on hcp and fcc Cobalt for the Fischer-Tropsch SynthesisGreg CollingeJean-Sabin McEwenNorbert KruseCatherine Stampfl2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(647c) Predicting the Single-Site CO Oxidation Reactivity Trends on a Well-Defined Copper Oxide FilmKyle GrodenAlex C. SchillingAlyssa HensleyAndrew TherrienE. Charles H. SykesJean-Sabin McEwen2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(269h) Coverage Dependent Adsorption of Phenol on Pt (111): Estimating the Lateral Interactions Exhibited By Bio-Oil Model Compounds Under Hydrodeoxygenation Reaction ConditionsNeeru ChaudharyYong WangAlyssa HensleyJean-Sabin McEwen2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(143a) Coverage-Dependent Adsorption of Hydrogen on Fe(100): Using Lattice Gas Parameters As Design Variables to Enhance Fe’s Resistance to Oxidative DeactivationAlyssa HensleyJean-Sabin McEwenGreg CollingeJacob Bray2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(659e) Determining the Predictability of Clusters Expansions By Quantifying Their Associated ErrorsGreg CollingeAlyssa HensleyJean-Sabin McEwen2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(629b) Developing Multi-Scale Models of Deoxygenation Reactions on Iron Carbide Catalysts: Hydrodeoxygenation of Phenol on Fe3C (001)Neeru ChaudharyJacob BrayRenqin ZhangYong WangJean-Sabin McEwen2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(727c) Developing Stability Criteria of Isolated Metal Adatoms on a Well-Defined Copper Oxide Film Nisa UlumuddinKyle GrodenAlex C. SchillingE. Charles H. SykesJean-Sabin McEwen2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(758b) Determining the Thermodynamic Stability of Single-Site Iron Complexes in Nitrogen-Doped Carbon: A Computational StudyAlyssa HensleyJean-Sabin McEwenManuel Garcia-PerezYong WangKyle GrodenMichael AyianiaAidan Garcia2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(461c) Protic Solvents Catalyzed Synergistic H-Adatom and Proton Transfer during Methoxyphenol Hydrodeoxygenation on Ru ClustersJunnan ShangguanCathy ChinAlyssa HensleyMatthew GradiskiJacob BrayRobert MorrisJean-Sabin McEwen2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(560fi) Impact of Copper Exchange Protocol on Cu-CHA SCR ActivityAibolat KoishybayChun-Te KuoKyle GrodenAyman M. KarimJean-Sabin McEwenDaniel F. Shantz2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(632d) Hydrodeoxygenation of Phenolics at Solvent-Metal Interfaces: Enabling New Catalytic Pathways By Modifying the Reactive Hydrogen SpeciesAlyssa HensleyJunnan ShangguanJacob BrayMatthew GradiskiRobert MorrisJean-Sabin McEwenYa-Huei (Cathy) Chin2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)