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RESEARCH PAPER · ACS Central Science · 2021

Spontaneous Electric Fields Play a Key Role in Thermochemical Catalysis at Metal−Liquid Interfaces

Thejas S. Wesley, Yuriy Román‐Leshkov, Yogesh Surendranath

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Spontaneous Electric Fields Play a Key Role in Thermochemical Catalysis at Metal−Liquid InterfacesOriginalCalculating the adsorption energy of a charged adsorbent in a periodic metallic system – the case of BH 4 − hydrolysis on the Ag(111) surface42Electric Fields Influence Intramolecular Vibrational Energy Relaxation and Line Widths20Rate enhancement of phenol hydrogenation on Pt by hydronium ions in the aqueous phase27Electric-field-induced coupling of aryl iodides with a nickel(0) complex21Interfacial electric fields catalyze Ullmann coupling reactions on gold surfaces26Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer322Electron transfer rather than direct hydrogen atom transfer can drive catalytic hydrogenation on supported metal catalysts0Adsorbed cobalt porphyrins act like metal surfaces in electrocatalysis104A low temperature SOFC as a self-promoted reactor for CO2 catalytic hydrogenation14Electric field - induced catalysis. Laws of field catalysis1Зміна парадигми каталізу: ломка стереотипів1Demonstrating the Electron–Proton-Transfer Mechanism of Aqueous Phase 4-Nitrophenol Hydrogenation Using Unbiased Electrochemical Cells64Single-Molecule Chemical Reactions Unveiled in Molecular Junctions5Automated Variable Electric-Field DFT Application for Evaluation of Optimally Oriented Electric Fields on Chemical Reactivity18Metal nanoparticles supported on a nonconductive oxide undergo pH-dependent spontaneous polarization16Electric field-intensified chemical processes and reaction chemistry11Boosting Catalytic Selectivity through a Precise Spatial Control of Catalysts at Pickering Droplet Interfaces69Bimetallic Sites for Catalysis: From Binuclear Metal Sites to Bimetallic Nanoclusters and Nanoparticles689Electric‐Field‐Induced Organic Transformations12Nanoporous Gold: From Structure Evolution to Functional Properties in Catalysis and Electrochemistry117Positive temperature feedback loop in the catalytic cycle of heterogeneous catalysis0Trends in Electrocatalysis: The Microenvironment Moves to Center Stage83Unraveling Intrinsic Electronic Factors in Thermocatalytic (Hemi-)Hydrogenation of Ethylene and Acetylene with Electric Polarization7Recent advances in the molecular-level understanding of catalytic hydrogenation and oxidation reactions at metal-aqueous interfaces15Challenges and Opportunities for Exploiting the Role of Zeolite Confinements for the Selective Hydrogenation of Acetylene17Fluorination Modulates the Interaction of Water with Mgo Catalysts During Propylene Glycol Dehydrogenation0Multi-scale physics of bipolar membranes in electrochemical processes135A molecular-level mechanistic framework for interfacial proton-coupled electron transfer kinetics87Unravelling competitive adsorption phenomena in the aqueous phase reforming of carboxylic acids on Pt catalysts: An experimental and theoretical study8CatTestHub: A Benchmarking Database of Experimental Heterogeneous Catalysis for Evaluating Advanced Materials22Isopotential Titration for Quantifying Metal-Adsorbate Charge Transfer1Distinct Site Motifs Activate O2 and H2 on Supported Au Nanoparticles in Liquid Water14Electrically driven proton transfer promotes Brønsted acid catalysis by orders of magnitude81Interfacial Chemistry and Catalysis of Inorganic Materials1Quantification and Mechanistic Investigation of the Spontaneous H 2 O 2 Generation at the Interfaces of Salt-Containing Aqueous Droplets92Tafel Analysis Predicts Cooperative Redox Enhancement Effects in Thermocatalytic Alcohol Dehydrogenation22Water Confinement on Polymer Coatings Dictates Proton–Electron Transfer on Metal-Catalyzed Hydrogenation of Nitrite7Measuring the Electric Fields of Ions Captured in Crown Ethers11Disentangling heterogeneous thermocatalytic formic acid dehydrogenation from an electrochemical perspective28Selective Reduction of Nitroarenes via Noncontact Hydrogenation50Disentangling Chemical Interaction and Electric Fields at Electrochemical Interfaces8The Impact of Electric Fields on Processes at Electrode Interfaces77A perspective on mechanism of high-current–density electrocatalytic CO2 reduction5Small Ligand-Involved Pickering Droplet Interface Controls Reaction Selectivity of Metal Catalysts16Wireless potentiometry of thermochemical heterogeneous catalysis21Fluorination modulates the interaction of water with MgO catalysts during propylene glycol dehydrogenation1Surface Coverage Analysis Reveals Potential-Determining Heterolytic Reactions during Thermocatalytic Aerobic Glucose Oxidation8Elucidating Electric Field-Induced Rate Promotion of Brønsted Acid-Catalyzed Alcohol Dehydration14Spectro-Electrochemical Insights into Electrocatalytic CO 2 Reduction in Acidic Media through Model Catalyst Design20Isopotential Electron Titration: Hydrogen Adsorbate-Metal Charge Transfer7Thermochemical heterolytic hydrogenation catalysis proceeds through polarization-driven hydride transfer11Energy-coupled CO2 capture–conversion via membrane–adsorption integration: Quantitative benchmarks and pilot-scale design1A Universal Model of Cation Effects in Electrocatalysis24Ion-exchange-mediated pre-association gates interfacial PCET5Challenges and Opportunities of Intermediate-Temperature (100–350 °C) Electrocatalysis2Contact with Electrically Conductive Inert Solids Alters Intrinsic Heterogeneous Brønsted Acid Catalysis0The overlooked role of adsorption isotherms in electrocatalysis12Designing physically separated bimetallic catalysts through cooperative redox enhancement (CORE)5Electric-field enhanced water-dissociation catalysis on oxide surfaces4Electrochemistry lurks beneath the surface of thermocatalytic hydrogenations1Hidden interfacial electric fields in chemistry: contact electrification and beyond11Impact of solvated hydronium ions and local pH on H 2 O 2 direct synthesis over Pd catalysts supported on Brønsted acid solids0Leveraging co-operative redox enhancement (CORE) for efficient electrochemical production0Microenvironment and electrolyzer engineering for efficient CO 2 electroreduction to C 2 + products in acidic media0Challenging GC-DFT: Adsorption of pyridine on Au(111) as a model for non-Nernstian effects at electrified interfaces2pH‐Mediated Strong Metal‐Support Interaction Construction Through Dynamic Fermi Level Tuning0pH‐Mediated Strong Metal‐Support Interaction Construction Through Dynamic Fermi Level Tuning2Effects of Electric Fields on the Energies of Adsorbates on Metal Surfaces in Vacuum and in Liquids0Electrolyte Organization Leads to Potential-Dependence in Thermochemical Catalysis of Nonpolar Reactions2pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis0Proton-Coupled Electron Transfer in the Catalytic Hydrogenation of Hydroxyacetone: A pH-Induced Switch from Potential Pinning to Kinetic Coupling0Strong Proper C–H Hydrogen Bonds: Experimental Evidence across Spectral Ranges0Positive Electrochemical Potentials Induce Enhanced Chemoselectivity and Activity in the Thermocatalytic Hydrogenation of 3‐Nitrostyrene0Positive Electrochemical Potentials Induce Enhanced Chemoselectivity and Activity in the Thermocatalytic Hydrogenation of 3‐Nitrostyrene0Electrothermal Oxidation of Ethylene Glycol Over Co 3 O 41Elektrothermische Oxidation von Ethylenglycol an Co 3 O 40One-sided hydrogenation for carbonyl coupling0Non-Faradaic Promotion of Pd-Catalyzed Benzaldehyde Hydrogenation Induced by Cathodic Potential0Tuning photo-induced hole transport dynamics in Ga2O3 photoelectrodes for ultra-stable underwater solar-blind UV detection and communication0Thermochemical Polarization-Driven Heterolytic Hydrogenation in an Electrochemical Palladium-Membrane Reactor0Pendant Phosphonium Outperforms Ammonium by Strengthening Local Electric Fields in a Ruthenium Hydrogenation Catalyst0

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  4. Electric-field-induced coupling of aryl iodides with a nickel(0) complex

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