Search Results - "Exner, Kai S."

Does a Thermoneutral Electrocatalyst Correspond to the Apex of a Volcano Plot for a Simple Two‐Electron Process? by Exner, Kai S.

“…Volcano analyses have been established as a standard tool in the field of electrocatalysis for assessing the performance of electrodes in a class of materials…”
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A Universal Descriptor for the Screening of Electrode Materials for Multiple-Electron Processes: Beyond the Thermodynamic Overpotential by Exner, Kai S

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Recent Progress in the Development of Screening Methods to Identify Electrode Materials for the Oxygen Evolution Reaction by Exner, Kai S.

“…The oxygen evolution reaction (OER) limits the performance of proton‐exchange membrane electrolyzers since substantial overpotentials of several hundred…”
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Is Thermodynamics a Good Descriptor for the Activity? Re-Investigation of Sabatier’s Principle by the Free Energy Diagram in Electrocatalysis by Exner, Kai S

“…The computational hydrogen electrode (CHE) approach has spurred ab initio investigations in the field of electrocatalysis, since the underlying concept enables…”
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Beyond the Traditional Volcano Concept: Overpotential-Dependent Volcano Plots Exemplified by the Chlorine Evolution Reaction over Transition-Metal Oxides by Exner, Kai S

“…The chlorine evolution reaction (CER) over a single-crystalline RuO2(110) model electrode is one of the best understood model systems in the field of…”
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Beyond the Rate-Determining Step in the Oxygen Evolution Reaction over a Single-Crystalline IrO2(110) Model Electrode: Kinetic Scaling Relations by Exner, Kai S, Over, Herbert

“…Electrochemical water splitting is a key technology for moving toward a promising energy scenario based on renewable (regenerative) energy resources in that…”
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On the Lattice Oxygen Evolution Mechanism: Avoiding Pitfalls by Exner, Kai S.

“…The oxygen evolution reaction (OER) is often designated as the enigma in water electrolysis because the development of active and stable OER catalysts is a…”
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Recent Advancements Towards Closing the Gap between Electrocatalysis and Battery Science Communities: The Computational Lithium Electrode and Activity–Stability Volcano Plots by Exner, Kai S.

“…Despite of the fact that the underlying processes are of electrochemical nature, electrocatalysis and battery research are commonly perceived as two disjointed…”
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A Universal Approach To Determine the Free Energy Diagram of an Electrocatalytic Reaction by Exner, Kai S, Sohrabnejad-Eskan, Iman, Over, Herbert

“…Extended Tafel plots at various temperatures for an electrocatalyzed reaction and (possibly) its reversed reaction on single-crystalline model electrodes allow…”
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Controlling Stability and Selectivity in the Competing Chlorine and Oxygen Evolution Reaction over Transition Metal Oxide Electrodes by Exner, Kai S.

“…Chlor‐alkali electrolysis is a large‐scale industrial process, where the evolution of gaseous chlorine (chlorine evolution reaction, CER) at the anode is…”
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Universality in Oxygen Evolution Electrocatalysis: High‐Throughput Screening and a Priori Determination of the Rate‐Determining Reaction Step by Exner, Kai S.

“…Material screening is commonly based on the assessment of linear scaling relations that translate to a Volcano curve in order to identify promising electrode…”
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Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-Based Catalysts by Exner, Kai S., Anton, Josef, Jacob, Timo, Over, Herbert

“…In the industrially important Chlor‐Alkali process, the chlorine evolution reaction (CER) over a ruthenium dioxide (RuO2) catalyst competes with the oxygen…”
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Activity‐Stability Volcano Plots for Material Optimization in Electrocatalysis by Exner, Kai S.

“…In the last two decades, research in electrocatalysis has been spurred by theoretical calculations and predictions based on the concept of ab initio…”
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Boosting the Stability of RuO2 in the Acidic Oxygen Evolution Reaction by Tuning Oxygen‐Vacancy Formation Energies: A Viable Approach Beyond Noble‐Metal Catalysts? by Exner, Kai S.

“…RuO2 belongs to the most active electrode materials for the anodic oxygen evolution reaction (OER) within the electrochemical water splitting, such as those…”
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Importance of the Walden Inversion for the Activity Volcano Plot of Oxygen Evolution by Exner, Kai S.

“…Since the birth of the computational hydrogen electrode approach, it is considered that activity trends of electrocatalysts in a homologous series can be…”
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Overpotential‐Dependent Volcano Plots to Assess Activity Trends in the Competing Chlorine and Oxygen Evolution Reactions by Exner, Kai S.

“…The selectivity problem of the competing chlorine evolution (CER) and oxygen evolution (OER) reactions at the anode in chlor−alkali electrolysis is a major…”
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Toward data‐ and mechanistic‐driven volcano plots in electrocatalysis by Exner, Kai S.

“…The present application note summarizes an advanced methodology that allows for deriving potential‐dependent volcano curves for energy storage and conversion…”
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Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study - Pourbaix Diagrams by Exner, Kai S., Anton, Josef, Jacob, Timo, Over, Herbert

“…•Using the method Pourbaix diagram we identified the oxygen covered RuO2(110) surface as the catalytically active phase under chlorine evolution reaction (CER)…”
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Constrained Ab Initio Thermodynamics: Transferring the Concept of Surface Pourbaix Diagrams in Electrocatalysis to Electrode Materials in Lithium‐Ion Batteries by Exner, Kai S.

“…DFT‐based ab initio Pourbaix diagrams represent a powerful tool to resolve the stable surface structure of an electrocatalyst under different environmental…”
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Implications of the M-OO∙∙OO-M recombination mechanism on materials screening and the oxygen evolution reaction by Exner, Kai S

“…Abstract Identification of active electrocatalysts for the oxygen evolution reaction (OER), corresponding to the bottleneck in electrolyzers to produce gaseous…”
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