Jean-Sabin McEwen’s personal home-page

Jean-Sabin McEwen

Associate Professor, Chemical Engineering, Washington State University, USA
Staff Scientist, Catalysis Science Group, Pacific Northwest National Laboratory, USA
Adjuct Associate Professor, Physics, Washington State University, USA
Affiliate Associate Professor, Chemistry, Washington State University, USA

My coordinates

Jean-Sabin Mc Ewen
Washington State University
Gene and Linda Voiland School of Chemical Engineering and Bioengineering
Wegner 257, P.O. Box 646515
Pullman, WA 99164-6515
USA

Email: js.mcewen AT wsu.edu
Phone: +1-509-335-8580
Fax: +1-509-335-4806

Links:

Jean-Sabin McEwen’s group
William F. Schneider’s group
Physics of Complex Systems and Statistical Mechanics

Monograph:

• Kinetic Lattice Gas Models for Adsorption, Desorption and Diffusion
  J.-S. McEwen
  VDM Verlag (2009)
  ISBN: 978-3-639-19232-2 (link)

Articles (108 published, 5 submitted):

2024

• Distribution Tendencies of Noble Metals on Fe(100) Using Lattice Gas Cluster Expansions
  Isaac Onyango, Greg Collinge, Yong Wang, Jean-Sabin McEwen
  (Submitted)
• Quantifying How the Cis/Trans Ratio of N,N-dimethyl-3,5-dimethylpiperidinium Hydroxide Impacts the Growth Kinetics, Composition and Local Structure of SSZ-39
  Zheng Cui, Charles E. Umhey, Jean-Sabin McEwen and Daniel F. Shantz
  (Submitted)
• Topological Weyl Semimetal Co₃In₂S₂ Endows Surface Poison Tolerance Activity in Oxygen Evolution Reaction
  Anjaiah Sheelam, Ariel Whitten, Carrington Gates Moore, Mark Engelhard, Jean-Sabin McEwen and Jeffrey G. Bell
  (Submitted)
• Elucidating the Roles of Electric Fields in Fe Oxidation via Operando Atom Probe
  Sten V. Lambeets, Naseeha Cardwell, Isaac Onyango, Mark G. Wirth, Eric Vo, Yong Wang, Pierre Gaspard, Daniel E Perea, Thierry Visart de Bocarmé, Jean-Sabin McEwen
  (Submitted)
• Deconvoluting XPS Spectra of La-containing Perovskites From First Principles
  Ariel Whitten, Dezhou Guo, Elif Tezel, Reinhard Denecke, Eranda Nikolla, Jean-Sabin McEwen
  (Submitted)

2023

• Capturing the Coverage Dependence of Aromatics’ Adsorption Through Mean-Field Models
  Naseeha Cardwell, Alyssa J.R. Hensley, Yong Wang and Jean-Sabin McEwen
  (Journal of Physical Chemistry A 127 (2023) 10693–10700) (link) Featured on the cover of the December 21 2023 issue of the Journal of Physical Chemistry A (link)
  
• Elucidating the Effect of Ion Exchange Protocol on the Copper Exchange Efficacy, Copper Siting, and SCR activity
  Aibolat Koishybay, Charles Umhey, Chun-Te Kuo, Kyle Groden, Jean-Sabin McEwen, Ayman M. Karim, Daniel F. Shantz
  (ChemPhysChem 24 (2023) e202300271) (link) Featured on the cover of the July 3 2023 issue of ChemPhysChem (link)
  
• Assessing Factors that Determine Adatom Migration and Clustering on a Thin Film Oxide; Pt₁ and Rh₁ on the “29” Cu_xO/Cu(111) Surface
  Nisa Ulumuddin, Volkan Cinar, Alex C. Schilling, Adrian Hunt, Iradwikanari Waluyo, Charles E. Sykes, Jean-Sabin McEwen
  (Applied Surface Science 628 (2023) 157145) (link)
  
• Determining Catalytically-Relevant Surfaces Through Coverage-Dependent Lattice Gas Models: Carbon Adsorption on Fe(100)
  Neeru Chaudhary, Isaac Onyango, Yong Wang and Jean-Sabin McEwen
  (Journal of Physical Chemistry C 127 (2023) 14163–14176) (link) Featured on the cover of the July 27 2023 issue (link)

2022

• Electrochemical Reduction of CO₂ using Solid Oxide Electrolysis Cells: Insights into Catalysis by Non-stoichiometric Mixed Metal Oxides
  Elif Tezel, Ariel Whitten, Genevieve Yarema, Reinhard Denecke, Jean-Sabin McEwen and Eranda Nikolla
  (Accepted to ACS Catalysis 18 (2022) 11456-11471) (link)
  
• Elucidating CO Oxidation Pathways on Rh Atoms and Clusters on the “29” Cu₂O/Cu(111) Surface
  Alex C. Schilling, Nisa Ulumuddin, Volkan Cinar, Ryan T. Hannagan, Kyle Groden, Yicheng Wang, Laura A. Cramer, Paul L. Kress, Dipna A. Patel, Beverly Vo, Adrian Hunt, Phillip Christopher, Iradwikanari Waluyo, Jean-Sabin McEwen and E. Charles H. Sykes
  (Journal of Physical Chemistry C 126 (2022) 11091-11102) (link)
  
• Elucidating the Role of B-site Cations Toward CO₂ activation in Perovskite-Based Solid Oxide Electrolysis Cells
  Elif Tezel, Dezhou Guo, Ariel Whitten, Genevieve Yarema, Maikon Freire, Reinhard Denecke, Jean-Sabin McEwen and Eranda Nikolla
  (Journal of the Electrochemical Society 169 (2022) 034532) (link)
  
• Novel Amorphous Carbons for the Adsorption of Phosphate: Part I. Elucidation of Chemical Structure of N-Metal Doped Chars
  Michael Ayiania, Aidan Garcia, Sohrab Haghighi Mood, Jean-Sabin McEwen, and Manuel Garcia-Perez
  (Accepted to ACS Omega 7 (2022) 14490-14504) (link)

2021

• Determining the Adsorption Energetics of 2,3-butanediol on RuO₂(110): Coupling First Principles Calculations with Global Optimizers
  Carrington Moore, Difan Zhang, Roger Rousseau, Vassiliki Alexandra Glezakou, Jean-Sabin McEwen
  (Accepted to Frontier Energy Research, November 10 2021) (link)
  
• Quantifying Errors in Effective Cluster Interactions of Lattice Gas Cluster Expansions
  G. Collinge, A. J. R. Hensley, J.-S. McEwen
  (Accepted to the Journal of Physical Chemistry C, November 18 2021) (link)
  
• Bronsted Acidity of H-adatoms at Protic Solvent-Transition Metal Interfaces and its Kinetic Consequences in Electrophilic Addition Reactions
  Junnan Shangguan, Alyssa J.R. Hensley, Leander Morgenstern, Zhishan Li, Jean-Sabin McEwen Weihua Ma and Ya-Huei (Cathy) Chin
  (Accepted to Journal of Catalysis, December 11 2021) (link)
  
• Chemisorption-Induced Formation of Biphenylene Dimer on Ag(111)
  Zhiwen Zeng, Tao Wang, Dezhou Guo, Jianmin Huang, Dong Han, Qian Xu, Aidi Zhao, Dimas G. de Oteyza, Jean-Sabin McEwen and Junfa Zhu
  (Accepted to the Journal of the American Chemical Society, December 10, 2021) (link)
  
• First Principles Approach to Extracting Chemical Information from X-Ray Absorption Near-Edge Spectra of Ga-Containing Materials
  Kyle Groden, Fernando, D. Vila, Li Li, Simon R. Bare, Susannah L. Scott and Jean-Sabin McEwen
  (Accepted to the Journal of Physical Chemistry C, November 2 2021) (link) Featured on the front cover of the December 29 2021 issue of the J. Phys. Chem. C (link)
  
• Elucidating the Cooperative Roles of Water and Lewis Acid-base Pairs in Cascade C-C Coupling and Self-deoxygenation Reactions
  Houqian Li, Dezhou Guo, Nisa Ulumuddin, Nicholas R. Jaegers, Junming Sun, Bo Peng, Jean-Sabin McEwen, Jianzhi Hu, Yong Wang
  (JACS Au 9 (2021) 1471-1487) (link) Featured on the cover of the September 27 2021 issue of the JACS Au (link)
  
• Microscopic Insights into Long-Range 1D Ordering in a Dense Semi-Disordered Molecular Overlayer
  Ryan T. Hannagan, Isaac Onyango, Amanda Larson, Jean-Sabin McEwen, and E. Charles H. Sykes
  (Chemical Communications 57 (2021) 5937-5940) (link)
  
• Guiding the Design of Oxidation-Resistant Fe-based Single Atom Alloy Catalysts with Insights from Configurational Space
  Alyssa J.R. Hensley, Greg Collinge, Yong Wang and Jean-Sabin McEwen
  (Journal of Chemical Physics 154 (2021) 174709) (link)
  
• Elucidating the Influence of Electric Fields Toward CO₂ Activation on YSZ(111)
  Nisa Ulumuddin, Fanglin Che, Jung-Il Yang, Su Ha, Jean-Sabin McEwen
  (Catalysts 11 (2021) 271) (link)
  
• Nitrogen-doped Char as a Catalyst for Wet Oxidation of Phenol-Contaminated Water
  Iva Tews, Aidan Garcia Bram, Michael Ayiania, Sohrab Haghighi Mood, Kalidas ainali, Jean-Sabin McEwen and Manuel Garcia-Perez
  (Accepted to Biomass Conversion and Biorefinery) (link)

2020

• Identifying Trends in the Field Ionization of Diatomic Molecules over Adsorbate Covered Pd(331) Surfaces
  Alyssa J. R. Hensley, Ian deJoode, Yong Wang, Jean-Sabin McEwen
  (Accepted to Topics in Catalysis 63 (2020) 1510-1521) (link)
  
• Developing Single-Site Pt Catalysts for the Preferential Oxidation of CO: A Surface Science and First Principles-Guided Approach
  Jilei Liu, Alyssa J.R. Hensley, Georgios Giannakakis, Andrew J. Therrien, Ahmad Sukkar, Alex C. Schilling, Kyle Groden, Nisa Ulumuddin, Ryan T. Hannagan, Mengyao Ouyang, Maria Flytzani-Stephanopoulos, Jean Sabin McEwen, and E. Charles H. Sykes
  (Accepted to Applied Catalysis B 284 (2021) 119716) (link)
  
• Determining the Hydration Energetics on Carbon-Supported Ru Catalysts: An Adsorption Calorimetry and Density Functional Theory Study
  Xianghui Zhang, Neeru Chaudhary, Megan R. Hawkins, Cody B. Cockreham, Chen Yang, Junnan Shangguan, Alyssa J. R. Hensley, Ya-Huei (Cathy) Chin, Su Ha, Jean-Sabin McEwen, Di Wu
  (Catalysis Today 365 (2021) 172-180) (link)
  
  
• Catalytic Consequences of Hydrogen Addition Events and Solvent-Adsorbate Interactions during Guaiacol-H₂ Reactions at the H₂O-Ru(0001) Interface
  Alyssa J.R. Hensley, Jacob Bray, Junnan Shangguan, Ya-Huei (Cathy) Chin and Jean-Sabin McEwen
  (Journal of Catalysis 395 (2021) 467-482) (link)
  
• Microstructural Analysis of Nitrogen Doped Char by Raman Spectroscopy: Raman Shift Analysis from First Principles
  Michael Ayiania, Elsa Weiss-Hortala, Matthew Smith, Jean-Sabin McEwen and Manuel Garcia-Perez
  (Carbon 167 (2020) 559-574) (link)
  
• Visualizing the origin of rotational entropy effects in coadsorbed systems
  Ryan T. Hannagan, Kyle Groden, Amanda M. Larson, Andrew J. Therrien, Theodore Thuening, Alex C. Schilling, Jean-Sabin McEwen, and E. Charles H. Sykes
  (Physical Review Research 2 (2020) 023326) (link)
  
• The Role of Protons and Hydrides in the Catalytic Hydrogenolysis of Guaiacol at the Ruthenium Nanoparticle-water Interface
  Junnan Shangguan, Alyssa J.R. Hensley, Matthew V. Gradiski, Niklas Pfriem, Jean-Sabin McEwen, Robert H. Morris, Ya-Huei (Cathy) Chin
  (Accepted to ACS Catalysis, 10, 2020, 12310-12332) (link)
  
• Probing Active-Site Relocation in Cu/SSZ-13 SCR Catalysts during Hydrothermal Aging by in situ EPR Spectroscopy, Kinetic Studies, and DFT Calculations
  Yani Zhang, Yue Peng, Junhua Li, Kyle Groden, Jean-Sabin McEwen, Eric D. Walter, Ying Chen, Yong Wang, Feng Gao
  (ACS Catalysis 10 (2020) 9410-9419) (link). Featured on the cover of the August 21 2020 issue of ACS Catalysis (link)
  
  
• Accelerated Cu₂O Reduction by Single Pt Atoms at the Metal-Oxide Interface
  Alex Schilling, Kyle Groden, Juan Simonovis, Adrian Hunt, Ryan Hannagan, Volkan Cinar, Jean-Sabin McEwen, E. Charles H. Sykes, Iradwikanari Waluyo
  (ACS Catalysis 10 (2020) 4215-4226) (link)
  
• Coverage Dependent Adsorption of Hydrogen on Fe(100): Determining Catalytically Relevant Surface Structures via Lattice Gas Models
  Alyssa J.R. Hensley, Greg Collinge, Yong Wang and Jean-Sabin McEwen
  (Journal of Physical Chemsitry C 124 (2020) 7254-7266) (link). Featured on the cover of the April 2 2020 issue of the Journal of Physical Chemsitry C (link)
  
• Deconvoluting the XPS Spectra for Nitrogen-Doped Chars: An Analysis from First Principles
  Michael Ayiania, Matthew Smith, Alyssa J. R. Hensley, Louis Scudiero, Jean-Sabin McEwen, Manuel Garcia-Perez
  (Carbon 162 (2020) 528-544) (link)
  
• Promoting the Cleavage of C-O bonds at the Interface Between a Metal Oxide Cluster and a Co(0001) Support
  Renqin Zhang, Motahare Athariboroujeny, Greg Collinge, Viacheslav Iablokov, Kirill D. Shumilov, Anastassia N. Alexandrova, Norbert Kruse and Jean-Sabin McEwen
  (ACS Catalysis 10 (2020) 14722-14731) (link)
  
• Controlling the Oxidation State of Fe-Based Catalysts Through Nitrogen Doping Toward the Hydrodeoxygenation of m-Cresol
  Yanling Yang, Mingwu Tan, Aidan Garcia, Zhaoxia Zhang, Jingdong Lin, Shaolong Wan, Jean-Sabin McEwen, Shuai Wang, Yong Wang
  (ACS Catalysis 10 (2020) 7884-7893) (link). Featured on the cover of the July 17 2020 issue of ACS Catalysis (link)
  
  
• Templated Growth of a Homochiral Thin Film Oxide
  Alex C. Schilling, Andrew J. Therrien, Ryan T. Hannagan, Matthew D. Marcinkowski, Paul L. Kress, Dipna A. Patel, Tedros A. Balema, Amanda M. Larson, Felicia R. Lucci, Benjamin Coughlin, Renqin Zhang, Theodore Thuening, Volkan Cinar, Jean-Sabin McEwen, Andrew J. Gellman, E. Charles H. Sykes
  (ACS Nano 14 (2020) 4682-4688) (link)
  
• Formulation of Multicomponent Lattice Gas Model Cluster Expansions Parameterized on Ab Initio Data: An Introduction to the Ab Initio Mean-Field Augmented Lattice Gas Model Code
  Greg Collinge, Kyle Groden, Catherine Stampfl and Jean-Sabin McEwen
  (Journal of Physical Chemistry C, 124 (2020) 2923-2938) (link)
  
• Enhancing the partial oxidation of gasoline with Mo-doped Ni catalysts for SOFC applications: An integrated experimental and DFT study
  Qusay Bkour, Fanglin Che, Kyung-Min Lee, Chen Zhou, Nusnin Akter, Jorge Anibal Boscoboinik, Kai Zhao, Jake Gray, Steven R. Saunders, M. Grant Norton, J.-S. McEwen, Taejin Kim, Su Ha
  (Applied Catalysis B 266 (2020) 118626) (link)
  
  
• Coverage-Dependent Adsorption of Phenol on Pt (111) from First Principles
  Neeru Chaudhary, Alyssa Hensley, Gregory Collinge, Yong Wang and Jean-Sabin McEwen
  (Journal of Physical Chemistry C 124 (2020) 356-362) (link). Featured on the cover of the January 9 2020 issue of the Journal of Physical Chemsitry C (link)
  
• Enhancing Chemical Interaction of Polysulfide and Carbon through Synergetic Nitrogen and Phosphorus Doping
  Junhua Song, Jianming Zheng, Renqin Zhang, Shaofang Fu, Chengzhou Zhu, Shuo Feng, Jean-Sabin McEwen, Dan Du, Xiaolin Li, Yuehe Lin
  (ACS Sustainable Chemistry & Engineering 8 (2020) 806-813) (link)

2019

• Unravelling the Reaction Mechanism of Formic Acid Decomposition on Highly Dispersed Mo₂C/graphene Nanoparticles Supported on Graphene Flakes
  Jake Gray, Shin Wook Kang, Jung-Il Yang, Norbert Kruse, Jean-Sabin McEwen, Ji Chan Park, Su Ha
  (Applied Catalysis B 264 (2020) 118478) (link)
  
• Controlling Molecular Switching via Chemical Functionality; Ethyl vs. Methoxy Rotors
  Tedros A. Balema, Nisa Ulumuddin, Colin J. Murphy, Diana P. Slough, Zachary C. Smith, Ryan T. Hannagan, Natalie A. Wasio, Amanda M. Larson, Dipna A. Patel, Kyle Groden, Jean-Sabin McEwen, Yu-Shan Lin and E. Charles H. Sykes
  (Journal of Physical Chemistry C 123 (2019) 23738-23746) (link)
  
• A Synergy between Carbon Capture Utilization and Biorefinery: Production of Carbon-Negative Formate Chemicals from Carbon Dioxide Captured in Amine-Bioethanol Solvent
  Shaoqu Xie, Mi Lu, Neeru Chaudhary, Jean-Sabin McEwen, Ji Su, Brian Frost, Hongfei Lin
  (submitted)
  
• Field-Assisted Suppression of Coke in the Methane Steam Reforming Reaction
  J. Gray, F, Che, J.-S. McEwen, S. Ha
  (Accepted to Appl. Catal. B, August 26 2019) (link)
  
• Benchmarking the Accuracy of Coverage-Dependent Models: Adsorption and Desorption of Benzene on Pt (111) and Pt₃Sn (111) from First Principles
  Breanna Wong, Greg Collinge, Alyssa Hensley, Yong Wang, Jean-Sabin McEwen
  (Progress in Surface Science 94 (2019) 100538) (link)
  
• Improving the Electrochemical Oxidation of Formic Acid by Tuning the Electronic Properties of Pd-Based Bimetallic Nanoparticles
  S. Hu, F. Che, K. Bita, J. Mina, Y. Chang Won, J.-S. McEwen, L. Scudiero, S. Ha
  (Applied Catalysis B 254 (2019) 685-692) (link)
  
• Understanding Enantioselective Interactions by Pulling Apart Molecular Rotor Complexes
  A. Larson, K. Groden, R. Hannagan, J.-S. McEwen, E.C.H. Sykes
  (ACS Nano 13 (2019) 5939-5946) (link)
  
  
• Thermodynamic stability of nitrogen functionalities and defects in graphene and graphene nanoribbons from first principles
  Michael Ayiania, Alyssa J. R. Hensley, Kyle Groden, Manuel Garcia-Perez, Jean-Sabin McEwen
  (Carbon 152 (2019) 715-726) (link)
  
• The Partial Reduction of Clean and Doped -Fe₂O₃(0001) from First Principles
  A. J. R. Hensley, Y. Wang and J.-S. McEwen
  (Applied Catalysis A 582 (2019) 116989) (link)
  
• Surface-Templated Assembly of Molecular Methanol on the Thin Film “29” Cu(111) Surface Oxide
  Andrew Therrien, Alyssa Hensley, Ryan Hannagan, Alex Schilling, Matthew Marcinkowski, Amanda Larson, Jean-Sabin McEwen, E. Charles Sykes
  (The Journal of Physical Chemistry 123 (2019) 2911-2921) (link)

2018

• Local Environment Sensitivity of the Cu K-edge XANES Features in Cu-SSZ-13: An Analysis from First Principles
  R. Zhang, J.-S. McEwen
  (The Journal of Physical Chemistry Letters 9 (2018) 3035-3042) (link)
  
• Elucidating the Roles of the Electric Fields in Catalysis: A Perspective
  Fanglin Che, Jake Gray, Su Ha, Norbert Kruse, Susannah L. Scott, Jean-Sabin McEwen
  (ACS Catalysis 8 (2018) 5153-5174) (link)
  
  
• Modeling the Adsorption of NO and NH₃ on Fe-SSZ-13 from First Principles: A DFT Study
  R. Zhang, E. Anderst, K. Groden, J.-S. McEwen
  (Industrial and Engineering Chemistry Research, 57 (2018) 13396-13405). 2018 Class of Influential Researchers Virtual Special Issue. (link)
  
• An Atomistic-Scale View of Single-Site Pt Catalysis for Low-Temperature CO Oxidation
  Andrew J. Therrien, Alyssa J. R. Hensley, Matthew D. Marcinkowski, Renqin Zhang, Felicia R. Lucci, Benjamin Coughlin, Alex C. Schilling, Jean-Sabin McEwen and E. Charles H. Sykes
  (Nature Catalysis 1 (2018) 192-198). Featured on the front cover of the March 2018 issue of Nature Catalysis. (link)
  
  
  
  Heterogeneous Catalysis: Single Atoms on a Roll (Research Highlight), Nature Reviews Chemistry (link)
  
  
• Mechanistic Understanding of Methanol Carbonylation: Interfacing Homogeneous and Heterogeneous Catalysis via Carbon Supported Ir-La
  Alyssa Hensley, Jianghao Zhang, Ilka Vinçon, Xavier Pereira Hernandez, Diana Tranca, Gotthard Seifert, Jean-Sabin McEwen, Yong Wang
  (Journal of Catalysis, 361 (2018) 414-422) (link)
  
• Dissolution of CoCu Catalyst Step Defects by Subcarbonyl Co Formation
  G. Collinge, N. Kruse and J.-S. McEwen
  (Journal of Catalysis, 368 (2018) 31-37) (link)
  
• Water Activation by Single Pt Atoms Supported on a Cu₂O Thin Film
  Andrew J. Therrien, Kyle Groden, Alyssa J. R. Hensley, Alex C. Schilling, Ryan T. Hannagan, Matthew D. Marcinkowski, Alex Pronschinske, Felicia R. Lucci, E. Charles H. Sykes, Jean-Sabin McEwen
  (Journal of Catalysis 364 (2018) 166-173) (link)
  
• Mechanistic Effects of Water on the Fe-Catalyzed Hydrodeoxygenation of Phenol – The Role of Bronsted Acid Sites
  Alyssa J. R. Hensley, Yong Wang, Donghai Mei, Jean-Sabin McEwen
  (ACS Catalysis 8 (2018) 2200-2208) (link)
  
  
• Modeling the Adsorbate Coverage Distribution Over a Multi-Faceted Catalytic Grain in the Presence of an Electric Field: O/Fe from First Principles
  J. Bray, A. J. R. Hensley, G. Collinge, F. Che, Y. Wang, J.-S. McEwen
  (Catalysis Today 312 (2018) 92-104) (link)
  
• Characterization of CoCu- and CoMn-based Catalysts for the Fischer Tropsch Reaction Toward Chain-Lengthened Oxygenates
  J. Voss, Y. Xiang, G. Collinge, D. Perea, L. Kovarik, J.-S. McEwen, N. Kruse
  (Topics in Catalysis 61 (2018) 1016-1023) (link)
  
• Predicting the Electric Field Effect on the Lateral Interactions Between Adsorbates: O/Fe(100) from First Principles
  J. Bray, G. Collinge, C. Stampfl, Y. Wang, and J.-S. McEwen
  (Topics in Catalysis 61 (2018) 763-775) (link)

2017

• Characterizing the Geometric and Electronic Structure of Defects in the “29” Copper Surface Oxide
  Andrew Therrien, Alyssa Hensley, Renqin Zhang, Alex Pronschinske, Matthew Marcinkowski, Jean-Sabin McEwen, and E. Charles H. Sykes
  (Journal of Chemical Physics 147 (2017) 224706) (link)
  
• Chemical Sensitivity of Valence-to-core X-ray Emission Spectroscopy due to the Ligand and the Oxidation State: A Computational Study on Cu-SSZ-13 with Multiple H₂O and NH₃ Adsorption
  Renqin Zhang, Hui Li, Jean-Sabin McEwen
  (Journal of Physical Chemistry C, 121 (2017) 25759-25767) (link)
  
• Identifying the Thermal Decomposition Mechanism of Guaiacol on Pt(111): An Integrated X-ray Photoelectron Spectroscopy and Density Functional Theory Study
  Alyssa Hensley, Claudia Woeckel, Christoph Gleichweit, Karin Gotterbarm, Christian Papp, Hans-Peter Steinrueck, Yong Wang, Reinhard Denecke, Jean-Sabin McEwen
  (Accepted to Journal of Physical Chemistry 122 (2018) 4261-4273). Featured on the front cover. (link)
  
• Catalytic Reaction Rates Controlled by Metal Oxidation State: C-H Bond Cleavage in Methane over Nickel-Based Catalysts
  F. Che, S. Ha, J.-S. McEwen
  
  Angewandte Chemie International Edition 56 (2017) 3557-3561 (link). Featured on the inside back cover of the issue (link).
  
  
  
  Angewandte Chemie 129 (2017) 3611-3615 (link). Featured on the inside back cover of the issue (link).
  
  
• Reducing Reaction Temperature, Steam Requirements, and Coke Formation During Methane Steam Reforming Using Electric Fields: A Microkinetic Modeling and Experimental Study
  Fanglin Che, Jake Gray, Su Ha, Jean-Sabin McEwen
  (ACS Catalysis, 7 (2017) 6957-6968) (link).
  
  
  
  
• Effect of Pyrolysis Temperature on Aromatic Cluster Size of Cellulose Char by Quantitative Multi Cross-Polarization 13C NMR with Long Range Dipolar Dephasing
  M. Smith, G. Helms, J.-S. McEwen, M. Garcia-Perez
  (Carbon 116 (2017) 210-222) (link)
  
  
• The role of carbon monoxide in catalyst reconstruction for CO hydrogenation: First-principles study of the composition, structure, and stability of Cu/Co(10-12) as a function of CO pressure
  G. Collinge, N. Kruse, J.-S. McEwen
  (Journal of Physical Chemistry C 121 (2017) 2181-2191) (link)
  
  
• A DFT-Based Method for More Accurate Adsorption Energies: An Adaptive Sum of Energies from RPBE and vdW Density Functionals
  Alyssa J. R. Hensley, Kushal Ghale, Caroline Rieg, Thanh Dang, Emily Anderst, Felix Studt, Charles T. Campbell, Jean-Sabin McEwen, and Ye Xu
  (Journal of Physical Chemistry C 121 (2017) 4937-4945)(link)
  
  
• Hydrogen Oxidation and Water Dissociation over an Oxygen-Enriched Ni/YSZ Electrode in the Presence of an Electric Field: A First Principles-Based Microkinetic Model
  F. Che, S. Ha, J.-S. McEwen
  (Industrial & Engineering Chemistry Research 56 (2017) 1201-1213)(link)
  
  
• Improving Ni Catalysts Using Electric Fields: A DFT and Experimental Study of the Methane Steam Reforming Reaction
  F. Che, J. Gray, S. Ha, J.-S. McEwen
  (ACS Catalysis 7 (2017) 551-562) (link)
  

2016

• CO Adsorption on the “29” Cu_xO/Cu(111) Surface: An Integrated DFT, STM and TPD Study
  Alyssa J. R. Hensley, Andrew J. Therrien, Renqin Zhang, Matthew D. Marcinkowski, Felicia R. Lucci, E. Charles H. Sykes and Jean-Sabin McEwen
  (Journal of Physical Chemistry C 120 (2016) 25387-25394, ACS AuthorChoice open access article) (link)
  
  
  
  
• Elucidating the Role of the Electric Field at the Ni/YSZ Electrode: A DFT Study,
  F. Che, S. Ha, J.-S. McEwen
  (Journal of Physical Chemistry C 120 (2016) 10879-10886) (link)
  
  
• Structurally Accurate Model for the “29”-Structure of CuxO/Cu(111): A DFT and STM Study,
  A. J. Therrien, R. Zhang, F. R. Lucci, M. D. Marcinkowski, A. Hensley, J.-S. McEwen and E. C. H. Sykes
  (Journal of Physical Chemistry C 120 (2016) 10879-10886) (link)
  
  
• Elucidating the Field Influence on the Methane Steam Reforming Reaction: A Density Functional Theory Study,
  F. Che, S. Ha, J.-S. McEwen
  (Applied Catalysis B: Environmental 195 (2016) 77-89) (link)
  
  
• Perspective on Catalytic Hydrodeoxygenation of Biomass Pyrolysis Oils: Essential Roles of Fe-based Catalysts,
  Y. Hong, A. Hensley, J.-S. McEwen, Y. Wang
  (Catalysis Letters 146 (2016) 1621) (link)
  
  
• The Interaction of Reactants, Intermediates and Products with Cu ions in Cu-SSZ-13 NH₃ SCR catalysts: An Energetic and Ab Initio X-ray Absorption Modeling Study,
  R. Zhang, J. Szanyi, F. Gao, J.-S. McEwen
  (Catalysis Science and Technology 6 (2016) 5812-5829) (link) Featured on the cover of issue (link).
  
  
• Ab initio X-ray Absorption Modeling of Cu-SAPO-34: Characterization of Cu Exchange Sites Under Different Conditions,
  R. Zhang, K. Helling, J.-S. McEwen
  (Catalysis Today 267 (2016) 28-40) (link)
  
  
• Adsorption of Guaiacol on Fe (110) and Pd (111) from First Principles,
  A. Hensley, Y. Wang, J.-S. McEwen
  (Surface Science 648 (2016) 227-235) (link)
  
• CO-Induced Inversion of the Layer Sequence of a CoCu Model Catalyst,
  G. Collinge, Y. Xiang, R. Barbosa, J.-S. McEwen, N. Kruse
  (Surface Science 648 (2016) 74-83) (link)
  
• Structural Analysis of Char by Raman Spectroscopy: Improving Band Assignments through Computational Calculations From First Principles,
  M. W. Smith, I. Dallmeyer, T. J. Johnson, C. S. Brauer, J.-S. McEwen, J. F. Espinal, M. Garcia-Perez
  (Carbon 100 (2016) 6778-692) (link)
  
• Improving the Deconvolution and Interpretation of XPS Spectra from Chars by ab Initio Calculations
  Matthew Smith, Louis Scudiero, Juan F Espinal-Lopez, Jean-Sabin McEwen, Manuel Garcia Perez
  (Carbon 110 (2016) 155-171) (link)

2015

• Catalytic Water Dehydrogenation and Formation on Nickel: Dual Path Mechanism in High Electric Fields,
  F. Che, J. Gray, S. Ha, J.-S. McEwen
  Journal of Catalysis 332 (2015) 187-200 (link)
  
• Adsorption of Aromatics on the (111) Surface of PtM and PtM₃ (M = Fe, Ni) Alloys,
  A. Hensley, S. Schneider, Y. Wang, J.-S. McEwen
  RSC Advances 5 (2015) 85705-85719 (link)
  
• Phenol Deoxygenation Mechanisms on Fe (110) and Pd (111),
  A. Hensley, Y. Wang, J.-S. McEwen,
  ACS Catalysis, 5 (2015) 523-536 (link)

2014

• Adsorption of Phenol on Fe (110) and Pd (111) from First Principles,
  A. Hensley, Y. Wang, J.-S. McEwen,
  Surface Science 630 (2014) 244-253 (link)
  
• NO Chemisorption on Cu/SSZ-13: A Comparative Study from Infrared Spectroscopy and DFT Calculations,
  R. Zhang, J.-S. McEwen, M. Kollar, F. Gao, Y. Wang, J. Szanyi, C. Peden,
  ACS Catalysis, 4 (2014) 4093-4105 (link)
  
• Decomposition of Methyl Species on a Ni(211) surface: Investigations of the Electric Field Influence,
  F. Che, A. J. Hensley, S. Ha, J.-S. McEwen, Catalysis Science and Technology, 4 (2014) 4020-4035 (link)
  
• Enhanced Fe2O3 Reducibility via Surface Modification with Pd: Characterizing the Synergy within Pd/Fe Catalysts for Hydrodeoxygenation Reactions,
  A. Hensley, Y. Hong, R. Zhang, H. Zhang, J. Sun, Y. Wang, J.-S. McEwen,
  ACS Catalysis, 4 (2014) 3381-3392 (link)
  
  
• Synergistic Catalysis between Pd and Fe in Gas Phase Hydrodeoxygenation of m-Cresol,
  Y. Hong, H. Zhang, J. Sun, K. M. Ayman, A. J. R. Hensley, M. Gu, M. H. Engelhard, J.-S. McEwen, Y. Wang,
  ACS Catalysis, 4 (2014) 3335-3345 (link)
  
  
• First-principles reaction site model for coverage-sensitive surface reactions: Pt(111)-O temperature programmed desorption,
  J. M. Bray, I. Skavdahl, J.-S. McEwen and W.F. Schneider, Surface Science 622 (2014) L1-L6 (link)
  
• Density Functional Theory Studies of Methyl Dissociation on a Ni(111) Surface in the Presence of an External Electric Field,
  Fanglin Che, Renqin Zhang, Alyssa J. Hensley, Su Ha, Jean-Sabin McEwen
  Physical Chemistry Chemical Physics 16 (2014) 2399-2410 (link)

2013

• Integrated X-ray photoelectron spectroscopy and DFT characterization of benzene adsorption on Pt(111), Pt(355) and Pt(322),
  Renqin Zhang, Alyssa J. Hensley, Jean-Sabin McEwen, Sandra Wickert, Erik Darlatt, Kristina Fischer, Matthias Schoeppke, Reinhard Denecke,
  Regine Streber, Michael Lorenz, Christian Papp, Hans-Peter Steinrueck
  Physical Chemistry Chemical Physics 15 (2013) 20662 (link)
  
• Tailoring the adsorption of benzene on PdFe surfaces: A density functional theory study,
  A. Hensley, R. Zhang, Y. Wang and J.-S. McEwen,
  Journal of Physical Chemistry C 117 (2013) 24317 (link)
  
• Carbon supported bimetallic Pd-Fe catalysts for vapor-phase hydrodeoxygenation of guaiacol,
  Junming Sun, Ayman M. Karim, He Zhang, Libor Kovarik, Xiaohong Li, Alyssa J. Hensley, Jean-Sabin McEwen, Yong Wang,
  Journal of Catalysis 306 (2013) 47 (link)

2012

• How low can you go? Minimum energy pathways for O₂ dissociation on Pt(111),
  J.-S. McEwen, J. Bray, C. Wu, W. F. Schneider,
  Physical Chemistry Chemical Physics 14 (2012) 16677 (link)
  
• Integrated operando X-ray absorption and DFT characterization of Cu-SSZ-13 exchange sites during the selective catalytic reduction of NO_x with NH₃,
  J.-S. McEwen, T. Anggara, W. F. Schneider, V. F. Kispersky, J. T. Miller, W. N. Delgass, F. H. Ribeiro
  Catalysis Today 184 (2012) 129 (link)

2011

• The effect of ultrafast diffusion on adsorption, desorption and reaction processes over heterogeneous surfaces,
  A. Garcia Cantu Ros, J.-S. McEwen and P. Gaspard
  Physical Review E 83 (2011) 021604. (link)

2010

• The catalytic reduction of NO₂ with hydrogen on Pt field emitter tips: Kinetic instabilities at the nanoscale,
  J.-S. McEwen, P. Gaspard, Y. De Decker, C. Barroo, T. Visart de Bocarmé and N. Kruse.
  Langmuir 26 (2010) 16381. (link) (free access with ACS ID)
  
• Electric field induced oscillations in the catalytic water production on rhodium: A theoretical analysis,
  J.-S. McEwen, P. Gaspard, T. Visart de Bocarmé and N. Kruse.
  Surface Science 604 (2010) 1353. (link)
  
• Non-equilibrium surface pattern formation during catalytic reactions with nanoscale resolution: Investigations of the electric field influence,
  J.-S. McEwen, A. Garcia Cantu Ros, P. Gaspard, T. Visart de Bocarmé and N. Kruse.
  Catalysis Today 154 (2010) 75. (link)

2009

• Oscillations and bistability in the catalytic formation of water on rhodium in high electric fields,
  J.-S. McEwen, P. Gaspard, T. Visart de Bocarmé and N. Kruse.
  Journal of Physical Chemistry C 113 (2009) 17045. (link) (free access with ACS ID)
• Interaction between silver nanowires and CO on a stepped platinum surface,
  R. Streber, B. Traenkenschuh, J. Schoeck, C. Papp, H.-P. Steinrueck,
  J.-S. McEwen, P. Gaspard, R. Denecke.
  Journal of Chemical Physics 131 (2009) 064702. (link)
  Erratum, Ibid. 131 (2009) 179901. (link)
• Nanometric Chemical Clocks,
  J.-S. McEwen, P. Gaspard, T. Visart de Bocarmé and N.Kruse,
  Proceedings of the National Academy of Sciences 106 (2009) 3006-3010. (link)
  Reported as a Science Concentrate in Chemical and Engineering News.
  Reported as a Research highlight in Nature Nanotechnology.
   

2008

• Field-assisted oxidation of rhodium,
  J.-S. McEwen, P. Gaspard, F. Mittendorfer, T. Visart de Bocarmé and N.Kruse,
  Chemical Physics Letters 452 (2008) 133-138. (link)

2007

• Phase diagram and adsorption-desorption kinetics of CO on Ru(0001) from first principles,
  J.-S. McEwen and A. Eichler
  Journal of Chemical Physics 126 (2007) 094701. (link)

2006

• CO oxidation on electrically charged gold nanotips,
  J.-S. McEwen and P. Gaspard
  Journal of Chemical Physics 125 (2006) 214707. (link)
  
• Lateral interactions and nonequilibrium in adsorption and desorption. Part 2. A kinetic lattice gas model for (2×2)-(3O+NO)/Ru(001)
  S.H. Payne, J.-S. McEwen, H.J. Kreuzer, D. Menzel
  Surface Science 600 (2006) 4660-4669. (link)
  
• Hopping kinetics on a finite 1D chain: An exact analysis,
  J.-S. McEwen, S.H. Payne, H.J. Kreuzer and C. Bracher
  Internation Journal of Quantum Chemistry 106 (2006) 2889-2903. (link)
  
• Two-Dimensional Roughening of Adsorbate Islands in Thermodynamic Equilibrium,
  J. Wintterlin, J. Trost, R. Schuster, A. Eichler, and J.-S. McEwen
  Physical Review Letters 96 (2006) 166102. (link)

2005

• Adsorption and desorption of CO on Ru(0001): a comprehensive analysis
  J.-S. McEwen, S.H. Payne, H.J. Kreuzer, and D. Menzel
  Surface Science 594 (2005) 240-262. (link)

2003

• Adsorption and desorption of CO on Pt(111): a comprehensive analysis,
  J.S. McEwen, S.H. Payne, H.J. Kreuzer, M. Kinne, and R. Denecke, and H.-P. Steinrueck
  Surface Science 545 (2003) 47-69. (link)

2002

• Phase diagram of O/Ru(0001) from first principles,
  J.-S. McEwen, S.H. Payne and C. Stampfl
  Chemical Physics Letters 361 (2002) 317-320. (link)