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RESEARCH PAPER · ACS Catalysis · 2020

Electric-Field-Assisted Modulation of Surface Thermochemistry

Manish Shetty, M. Alexander Ardagh, Yutong Pang, Omar Ali Abdelrahman, Paul Jakob Dauenhauer

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Electric-Field-Assisted Modulation of Surface ThermochemistryOriginalThe Catalytic Mechanics of Dynamic Surfaces: Stimulating Methods for Promoting Catalytic Resonance128Interfacial Field-Driven Proton-Coupled Electron Transfer at Graphite-Conjugated Organic Acids62Coverage-dependent formic acid oxidation reaction kinetics determined by oscillating potentials5Predicting macro-kinetic observables in electrocatalysis using the generalized degree of rate control36Non-Faradaic Promotion of Ethylene Hydrogenation under Oscillating Potentials29On the mechanism for the plasma-activated N 2 dissociation on Ru surfaces29Microkinetic modeling in electrocatalysis: Applications, limitations, and recommendations for reliable mechanistic insights57Automating reaction mechanism generation of halocarbon combustion and electrochemical catalysis2Electrostatic vs. inductive effects in phosphine ligand donor properties and reactivity16Accelerating CO 2 Electroreduction to Multicarbon Products via Synergistic Electric–Thermal Field on Copper Nanoneedles337Alternating electric field enables hyperthermophilic composting of organic solid wastes29Deep dive into machine learning density functional theory for materials science and chemistry111Cu-based bimetallic catalysts for CO2 reduction reaction63Perspectives on the Competition between the Electrochemical Water and N2 Oxidation on a TiO2(110) Electrode26Nitrogen fixation with renewable electricity: Plasma catalysis as an alternative for small-scale ammonia synthesis?1Dynamic electrocatalysis: Examining resonant catalytic rate enhancement under oscillating electrochemical potential18Interfacial electric field triggered N2 activation for efficient electrochemical synthesis of ammonia45Unraveling the photocatalytic mechanisms for U(VI) reduction by TiO211Platinum Graphene Catalytic Condenser for Millisecond Programmable Metal Surfaces41Addressing complexity in catalyst design: From volcanos and scaling to more sophisticated design strategies77Writing the Programs of Programmable Catalysis26Electrocatalytic Scission of Unactivated C(sp 3 )–C(sp 3 ) Bonds through Real-Time Manipulation of Surface-Bound Intermediates20Positive direction of polarization-induced electric field improves formic acid electrooxidation on Pd12Programmable catalysis by support polarization: elucidating and breaking scaling relations29Up up down down left right left right B A Start for the catalytic hackers of programmable materials12Challenges and Opportunities for Exploiting the Role of Zeolite Confinements for the Selective Hydrogenation of Acetylene18Fabrication of Large-Area Metal-on-Carbon Catalytic Condensers for Programmable Catalysis16Catalytic resonance theory: the catalytic mechanics of programmable ratchets15Design and screening of bimetallic catalysts for nitric oxide reduction by CO: a study of kinetic Monte Carlo simulation based on first-principles calculations1Electrostatically tunable interaction of CO 2 with MgO surfaces and chemical switching: first-principles theory3Modeling interfacial electric fields and the ethanol oxidation reaction at electrode surfaces7Isopotential Titration for Quantifying Metal-Adsorbate Charge Transfer1Mechanistic Studies of Stimulus–Response Integrated Catalysis of Single-Atom Alloys under Electric Fields for Electrochemical Nitrogen Reduction9Cyclic Steady-State Simulation and Waveform Design for Dynamic/Programmable Catalysis6Reaction Rate Theory for Electric Field Catalysis in Solution8Interfacial Electric Fields Drive Rearrangement of Adsorbed Cysteine and Electrolyte Ions on Au Electrodes6External Electric Field Enhanced Ti 3 C 2 MXene Surface Passivation for Realizing Ultra‐Long Cycling Stability6Multiscale Simulation Guided Electric Field-Enhanced Ammonia Catalytic Cracking9Tuning water dissociation at oxide–electrolyte interfaces with electric fields14Field-Enhanced catalysis: Integrating experiment, theory, and machine learning for catalytic innovation13Isopotential Electron Titration: Hydrogen Adsorbate-Metal Charge Transfer7Catalytic resonance theory for parametric uncertainty of programmable catalysis0Stochastic dynamics of nanoparticle catalysis: a discrete-state perspective4Isopotential Electron Titration of Ammonia Charge Transfer on Metal Catalysts1Intrinsic partial oxidation of methane to formaldehyde on RhO2(1 1 0): disentangling oxygen depletion from electronic promotion1Onsager relaxation effects exhibits transient disturbances in electrochemical control systems0Light oils from methane homologation over hierarchically porous TiO2/SiO2 hybrid catalyst for a non-thermal plasma1Grand Challenges and Opportunities in Stimulated Dynamic and Resonant Catalysis7Reaction-specific electric-field effects on selective oxidation of light alkanes over RhO2(1 1 0)0Direct electrochemical appraisal of black coffee quality using cyclic voltammetry2Catalytic resonance theory for the kinetic signatures of multiple wavelength photocatalysis0Synergistic Integrating of Thermocatalysis and Electrocatalysis2Catalytic resonance theory for the kinetics of photon-promoted catalysis0Electric field modulated CO2 electroreduction on Pt single atom doped X2CO2 MXenes: A DFT study0Ce and Gd co-doped NiFeOOH enables highly active and durable water oxidation under fluctuating power0Unraveling Cathodic Defect-Electric Field Synergism in the Enhanced Electroactivation of Peroxydisulfate for Highly Efficient Removal of Emerging Contaminants0

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  1. The Catalytic Mechanics of Dynamic Surfaces: Stimulating Methods for Promoting Catalytic Resonance

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  2. Interfacial Field-Driven Proton-Coupled Electron Transfer at Graphite-Conjugated Organic Acids

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  3. Coverage-dependent formic acid oxidation reaction kinetics determined by oscillating potentials

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  4. Predicting macro-kinetic observables in electrocatalysis using the generalized degree of rate control

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  5. Non-Faradaic Promotion of Ethylene Hydrogenation under Oscillating Potentials

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  6. On the mechanism for the plasma-activated N 2 dissociation on Ru surfaces

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  7. Microkinetic modeling in electrocatalysis: Applications, limitations, and recommendations for reliable mechanistic insights

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  8. Automating reaction mechanism generation of halocarbon combustion and electrochemical catalysis

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  9. Electrostatic vs. inductive effects in phosphine ligand donor properties and reactivity

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  10. Accelerating CO 2 Electroreduction to Multicarbon Products via Synergistic Electric–Thermal Field on Copper Nanoneedles

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  13. Cu-based bimetallic catalysts for CO2 reduction reaction

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  14. Perspectives on the Competition between the Electrochemical Water and N2 Oxidation on a TiO2(110) Electrode

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  15. Nitrogen fixation with renewable electricity: Plasma catalysis as an alternative for small-scale ammonia synthesis?

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  16. Dynamic electrocatalysis: Examining resonant catalytic rate enhancement under oscillating electrochemical potential

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  17. Interfacial electric field triggered N2 activation for efficient electrochemical synthesis of ammonia

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  18. Unraveling the photocatalytic mechanisms for U(VI) reduction by TiO2

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  19. Platinum Graphene Catalytic Condenser for Millisecond Programmable Metal Surfaces

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  20. Addressing complexity in catalyst design: From volcanos and scaling to more sophisticated design strategies

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  21. Writing the Programs of Programmable Catalysis

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  23. Positive direction of polarization-induced electric field improves formic acid electrooxidation on Pd

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