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Prof. Dr. rer. nat. Kai Exner

Anschrift
Universitätsstr. 5
45141 Essen
Raum
S05 V06 E78
Telefon
+49 201 183 2992
E-Mail
kai.exner@uni-due.de
Webseite
https://www.exner-group.com/group-members/kai-s.-exner

Funktionen

  • Universitätsprofessor/in, Anorganische Chemie

Die folgenden Publikationen sind in der Online-Universitätsbibliographie der Universität Duisburg-Essen verzeichnet. Weitere Informationen finden Sie gegebenenfalls auch auf den persönlichen Webseiten der Person.

    Artikel in Zeitschriften

  • Sokolov, Maksim; Doblhoff-Dier, Katharina; Exner, Kai S.
    Best practices of modeling complex materials in electrocatalysis, exemplified by oxygen evolution reaction on pentlandites
    In: Physical Chemistry, Chemical Physics (PCCP) Jg. 26 (2024) Nr. 34, S. 22359 - 22370
    Online Volltext: dx.doi.org/ (Open Access)
  • Wu, Tong; Dhaka, Kapil; Luo, Mengjia; Wang, Bingqing; Wang, Meng; Xi, Shibo; Zhang, Mingsheng; Huang, Fuqiang; Exner, Kai S.; Lum, Yanwei
    CCooperative Active Sites on Ag2Pt3TiS6 for Enhanced Low-Temperature Ammonia Fuel Cell Electrocatalysis
    In: Angewandte Chemie International Edition (2024) e202418691 in press
    Online Volltext: dx.doi.org/ (Open Access)
  • Sokolov, Maksim; Mastrikov, Yuri A.; Bocharov, Dmitry; Krasnenko, Veera; Zvejnieks, Guntars; Exner, Kai; Kotomin, Eugene A.
    Computational study of oxygen evolution reaction on flat and stepped surfaces of strontium titanate
    In: Catalysis Today Jg. 432 (2024) 114609
    Online Volltext: dx.doi.org/
  • Shaldehi, Tahereh Jangjooye; Meng, Ling; Rowshanzamir, Soosan; Parnian, Mohammad Javad; Exner, Kai; Viñes, Francesc; Illas, Francesc
    Computationally screening non-precious single atom catalysts for oxygen reduction in alkaline media
    In: Catalysis Today Jg. 431 (2024) 114560
    Online Volltext: dx.doi.org/ (Open Access)
  • Tack, Meike; Usama, Muhammad; Kazamer, Norbert; Exner, Kai; Brodmann, Michael; Barcikowski, Stephan; Reichenberger, Sven
    Continuous and Scalable Laser Synthesis of Atom Clusters with Tunable Surface Oxidation for Electrocatalytic Water Splitting
    In: ACS Applied Energy Materials Jg. 7 (2024) Nr. 9, S. 4057 - 4067
    Online Volltext: dx.doi.org/
  • Exner, Kai
    Editorial Overview: Fundamental and Theoretical Electrochemistry (2024) : Theoretical approaches for energy conversion on various time and length scales
    In: Current Opinion in Electrochemistry Jg. 43 (2024) 101427
    Online Volltext: dx.doi.org/
  • Lau, Kinran; Zerebecki, Swen; Pielsticker, Lukas; Hetaba, Walid; Dhaka, Kapil; Exner, Kai S.; Reichenberger, Sven; Barcikowski, Stephan
    Fluoride Substitution : Quantifying Surface Hydroxyls of Metal Oxides with Fluoride Ions
    In: Advanced Materials Interfaces Jg. 11 (2024) Nr. 26, 2400237
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    Four Generations of Volcano Plots for the Oxygen Evolution Reaction : Beyond Proton-Coupled Electron Transfer Steps?
    In: Accounts of Chemical Research Jg. 57 (2024) Nr. 9, S. 1336 - 1345
    Online Volltext: dx.doi.org/ (Open Access)
  • Sokolov, Maksim; Exner, Kai
    Is the ∗O vs. ∗OH scaling relation intercept more relevant than the ∗OOH vs. ∗OH intercept to capture trends in the oxygen evolution reaction?
    In: Chem Catalysis Jg. 4 (2024) Nr. 7, 101039
    Online Volltext: dx.doi.org/ (Open Access)
  • Meng, Ling; Tayyebi, Ebrahim; Exner, Kai; Viñes, Francesc; Illas, Francesc
    MXenes as Electrocatalysts for the CO₂ Reduction Reaction : Recent Advances and Future Challenges
    In: ChemElectroChem Jg. 11 (2024) Nr. 5, e202300598
    Online Volltext: dx.doi.org/ (Open Access)
  • Tayyebi, Ebrahim; Exner, Kai
    Refining Free-Energy Calculations for Electrochemical Reactions : Unveiling Corrections beyond Gas-Phase Errors for Solvated Species and Ions
    In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 128 (2024) Nr. 33, S. 13732 - 13742
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    Toward data‐ and mechanistic‐driven volcano plots in electrocatalysis
    In: Electrochemical Science Advances Jg. 4 (2024) Nr. 2, e2200014
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Razzaq, Samad; Exner, Kai
    Why efficient bifunctional hydrogen electrocatalysis requires a change in the reaction mechanism
    In: iScience Jg. 27 (2024) Nr. 2, 108848
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    Combining descriptor-based analyses and mean-field modeling of the electrochemical interface to comprehend trends of catalytic processes at the solid/liquid interface
    In: Journal of Energy Chemistry Jg. 85 (2023) S. 288 - 290
    Online Volltext: dx.doi.org/ (Open Access)
  • Sokolov, Maksim; Mastrikov, Yuri A.; Zvejnieks, Guntars; Bocharov, Dmitry; Krasnenko, Veera; Exner, Kai S.; Kotomin, Eugene A.
    First Principles Calculations of Hydrogen Evolution Reaction and Proton Migration on Stepped Surfaces of SrTiO₃
    In: Advanced Theory and Simulations Jg. 6 (2023) Nr. 10, Special Issue: Computational Materials Science, 2200619
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    How data-driven approaches advance the search for materials relevant to energy conversion and storage
    In: Materials Today Energy Jg. 36 (2023) 101364
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    Implications of the M-OO∙∙OO-M recombination mechanism on materials screening and the oxygen evolution reaction
    In: JPhys Energy Jg. 5 (2023) Nr. 1, 014008
    Online Volltext: dx.doi.org/ (Open Access)
  • Cho, Junsic; Lim, Taejung; Kim, Haesol; Meng, Ling; Kim, Jinjong; Lee, Seunghoon; Lee, Jong Hoon; Jung, Gwan Yeong; Lee, Kug-Seung; Viñes, Francesc; Illas, Francesc; Exner, Kai; Joo, Sang Hoon; Choi, Chang Hyuck
    Importance of broken geometric symmetry of single-atom Pt sites for efficient electrocatalysis
    In: Nature Communications Jg. 14 (2023) Nr. 1, 3233
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    Importance of the Walden Inversion for the Activity Volcano Plot of Oxygen Evolution
    In: Advanced Science Jg. 10 (2023) Nr. 36, 2305505
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Exner, Kai
    Importance of the volcano slope to comprehend activity and selectivity trends in electrocatalysis
    In: Current Opinion in Electrochemistry Jg. 39 (2023) 101284
    Online Volltext: dx.doi.org/ (Open Access)
  • Razzaq, Samad; Exner, Kai
    Materials Screening by the Descriptor Gmₐₓ(η) : The Free-Energy Span Model in Electrocatalysis
    In: ACS Catalysis Jg. 13 (2023) Nr. 3, S. 1740 - 1758
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    On the concept of metal-hydrogen peroxide batteries : Improvement over metal-air batteries?
    In: Energy Advances Jg. 2 (2023) Nr. 4, S. 522 - 529
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    On the mechanistic complexity of oxygen evolution : potential-dependent switching of the mechanism at the volcano apex
    In: Materials Horizons Jg. 10 (2023) Nr. 6, 2086
    Online Volltext: dx.doi.org/ (Open Access)
  • Spellauge, Maximilian; Tack, Meike; Streubel, René; Miertz, Matthias; Exner, Kai; Reichenberger, Sven; Barcikowski, Stephan; Huber, Heinz Paul; Ziefuß, Anna
    Photomechanical Laser Fragmentation of IrO₂ Microparticles for the Synthesis of Active and Redox-Sensitive Colloidal Nanoclusters
    In: Small Jg. 19 (2023) Nr. 10, 2206485
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    Rapid Screening of Mechanistic Pathways for Oxygen-Reduction Catalysts
    In: ChemCatChem Jg. 15 (2023) Nr. 3, e202201222
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    Standard-state entropies and their impact on the potential-dependent apparent activation energy in electrocatalysis
    In: Journal of Energy Chemistry Jg. 83 (2023) S. 247 - 254
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    Steering Selectivity in the Four-Electron and Two-Electron Oxygen Reduction Reactions : On the Importance of the Volcano Slope
    In: ACS Physical Chemistry Au Jg. 3 (2023) Nr. 2, S. 190 - 198
    Online Volltext: dx.doi.org/ (Open Access)
  • López, Martí; Exner, Kai; Viñes, Francesc; Illas, Francesc
    Theoretical study of the mechanism of the hydrogen evolution reaction on the V₂C MXene : Thermodynamic and kinetic aspects
    In: Journal of Catalysis Jg. 421 (2023) S. 252 - 263
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    Beyond the thermodynamic volcano picture in the nitrogen reduction reaction over transition-metal oxides : Implications for materials screening
    In: Chinese Journal of Catalysis Jg. 43 (2022) Nr. 11, S. 2871 - 2880
    Online Volltext: dx.doi.org/
  • Exner, Kai; Lim, Taejung; Joo, Sang Hoon
    Circumventing the OCl versus OOH scaling relation in the chlorine evolution reaction : Beyond dimensionally stable anodes
    In: Current Opinion in Electrochemistry Jg. 34 (2022) 100979
    Online Volltext: dx.doi.org/ (Open Access)
  • López, Martí; Exner, Kai; Viñes, Francesc; Illas, Francesc
    Computational Pourbaix Diagrams for MXenes : A Key Ingredient toward Proper Theoretical Electrocatalytic Studies
    In: Advanced Theory and Simulations Jg. 6 (2022) Nr. 10, Special Issue: Computational Materials Science, 2200217
    Online Volltext: dx.doi.org/ (Open Access)
  • He, Tianwei; Exner, Kai
    Computational electrochemistry focusing on nanostructured catalysts : challenges and opportunities
    In: Materials Today Energy Jg. 28 (2022) 101083
    Online Volltext: dx.doi.org/ (Open Access)
  • Razzaq, Samad; Exner, Kai
    Method to Determine the Bifunctional Index for the Oxygen Electrocatalysis from Theory
    In: ChemElectroChem Jg. 9 (2022) Nr. 4, e202101603
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    On the Optimization of Nitrogen-Reduction Electrocatalysts : Breaking Scaling Relation or Catalytic Resonance Theory?
    In: ChemCatChem Jg. 14 (2022) Nr. 16, e202200366
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    On the optimum binding energy for the hydrogen evolution reaction: How do experiments contribute?
    In: Electrochemical Science Advances Jg. 2 (2022) Nr. 4, e2100101
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Razzaq, Samad; Exner, Kai
    Statistical analysis of breaking scaling relation in the oxygen evolution reaction
    In: Electrochimica Acta Jg. 412 (2022) 140125
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    Why the microkinetic modeling of experimental tafel plots requires knowledge of the reaction intermediate's binding energy
    In: Electrochemical Science Advances Jg. 2 (2022) Nr. 4, e2100037
    Online Volltext: dx.doi.org/ (Open Access)
  • Ivanova, Anna; Chesnokov, Andrew; Bocharov, Dmitry; Exner, Kai S.
    A Universal Approach to Quantify Overpotential-Dependent Selectivity Trends for the Competing Oxygen Evolution and Peroxide Formation Reactions : A Case Study on Graphene Model Electrodes
    In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 125 (2021) Nr. 19, S. 10413 - 10421
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Boosting the Stability of RuO₂ in the Acidic Oxygen Evolution Reaction by Tuning Oxygen-Vacancy Formation Energies : A Viable Approach Beyond Noble-Metal Catalysts?
    In: ChemElectroChem Jg. 8 (2021) Nr. 1, S. 46 - 48
    Online Volltext: dx.doi.org/
  • Herrada, R.A.; Rodil, S.E.; Sepúlveda-Guzmán, S.; Manríquez, J.; Exner, Kai S.; Bustos, E.
    Characterization of Ti electrodes electrophoretically coated with IrO₂-Ta₂O₅ films with different Ir:Ta molar ratios
    In: Journal of Alloys and Compounds Jg. 862 (2021) 158015
    Online Volltext: dx.doi.org/
  • Lim, Taejung; Kim, Jae Hyung; Kim, Jinjong; Baek, Du San; Shin, Tae Joo; Jeong, Hu Young; Lee, Kug-Seung; Exner, Kai; Joo, Sang Hoon
    General Efficacy of Atomically Dispersed Pt Catalysts for the Chlorine Evolution Reaction : Potential-Dependent Switching of the Kinetics and Mechanism
    In: ACS Catalysis Jg. 11 (2021) Nr. 19, S. 12232 - 12246
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Hydrogen electrocatalysis revisited : Weak bonding of adsorbed hydrogen as the design principle for active electrode materials
    In: Current Opinion in Electrochemistry Jg. 26 (2021) 100673
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Ivanova, Anela
    Method to Construct Volcano Relations by Multiscale Modeling : Building Bridges between the Catalysis and Biosimulation Communities
    In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Jg. 125 (2021) Nr. 8, S. 2098 - 2104
    Online Volltext: dx.doi.org/
  • Exner, Kai
    On the Lattice Oxygen Evolution Mechanism : Avoiding Pitfalls
    In: ChemCatChem Jg. 13 (2021) Nr. 19, S. 4066 - 4074
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    Skalierungsbeziehungen in der Sauerstoffgasentwicklung : Fluch oder Segen?
    In: Unikate: Berichte aus Forschung und Lehre (2021) Nr. 57: Katalyse : Alles andere als oberflächlich, S. 133 - 138
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Ooka, Hideshi; Huang, Jun; Exner, Kai S.
    The Sabatier Principle in Electrocatalysis : Basics, Limitations, and Extensions
    In: Frontiers in Energy Research Jg. 9 (2021) 654460
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Exner, Kai
    The electrochemical-step asymmetry index
    In: MethodsX Jg. 8 (2021) 101590
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    Why approximating electrocatalytic activity by a single free-energy change is insufficient
    In: Electrochimica Acta Jg. 375 (2021) S. 137975
    Online Volltext: dx.doi.org/
  • Exner, Kai
    Why the breaking of the OOH versus OH scaling relation might cause decreased electrocatalytic activity
    In: Chem Catalysis Jg. 1 (2021) Nr. 2, S. 258 - 271
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai
    Why the optimum thermodynamic free-energy landscape of the oxygen evolution reaction reveals an asymmetric shape
    In: Materials Today Energy Jg. 21 (2021) 100831
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    A Universal Descriptor for the Screening of Electrode Materials for Multiple-Electron Processes : Beyond the Thermodynamic Overpotential
    In: ACS Catalysis Jg. 10 (2020) Nr. 21, S. 12607 - 12617
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    Beyond Dimensionally Stable Anodes : Single-Atom Catalysts with Superior Chlorine Selectivity
    In: ChemElectroChem Jg. 7 (2020) Nr. 7, S. 1528 - 1530
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Beyond thermodynamic-based material-screening concepts : Kinetic scaling relations exemplified by the chlorine evolution reaction over transition-metal oxides
    In: Electrochimica Acta Jg. 334 (2020) 135555
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Comparison of the Conventional Volcano Analysis with a Unifying Approach : Material Screening Based on a Combination of Experiment and Theory
    In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 124 (2020) Nr. 1, S. 822 - 828
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Design criteria for the competing chlorine and oxygen evolution reactions : avoid the OCl adsorbate to enhance chlorine selectivity
    In: Physical Chemistry, Chemical Physics (PCCP) Jg. 22 (2020) Nr. 39, S. 22451 - 22458
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Does a Thermoneutral Electrocatalyst Correspond to the Apex of a Volcano Plot for a Simple Two-Electron Process?
    In: Angewandte Chemie International Edition Jg. 59 (2020) Nr. 26, S. 10236 - 10240
    Online Volltext: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    Electrolyte Engineering as a Key Strategy Towards a Sustainable Energy Scenario?
    In: ChemElectroChem Jg. 7 (2020) Nr. 3, S. 594 - 595
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Ivanova, Anela
    Identifying a gold nanoparticle as a proactive carrier for transport of a doxorubicin-peptide complex
    In: Colloids and Surfaces B: Biointerfaces Jg. 194 (2020) 111155
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Overpotential-Dependent Volcano Plots to Assess Activity Trends in the Competing Chlorine and Oxygen Evolution Reactions
    In: ChemElectroChem Jg. 7 (2020) Nr. 6, S. 1448 - 1455
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Paradigm change in hydrogen electrocatalysis : the volcano's apex is located at weak bonding of the reaction intermediate
    In: International Journal of Hydrogen Energy Jg. 45 (2020) Nr. 51, S. 27221 - 27229
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Recent Progress in the Development of Screening Methods to Identify Electrode Materials for the Oxygen Evolution Reaction
    In: Advanced Functional Materials Jg. 30 (2020) Nr. 42, 2005060
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Universality in Oxygen Evolution Electrocatalysis : High-Throughput Screening and a Priori Determination of the Rate-Determining Reaction Step
    In: ChemCatChem Jg. 12 (2020) Nr. 7, S. 2000 - 2003
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Activity-Stability Volcano Plots for Material Optimization in Electrocatalysis
    In: ChemCatChem Jg. 11 (2019) Nr. 14, S. 3234 - 3241
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Over, Herbert
    Beyond the Rate-Determining Step in the Oxygen Evolution Reaction over a Single-Crystalline IrO₂(110) Model Electrode : Kinetic Scaling Relations
    In: ACS Catalysis Jg. 9 (2019) Nr. 8, S. 6755 - 6765
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Beyond the Traditional Volcano Concept : Overpotential-Dependent Volcano Plots Exemplified by the Chlorine Evolution Reaction over Transition-Metal Oxides
    In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 123 (2019) Nr. 27, S. 16921 - 16928
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Controlling Stability and Selectivity in the Competing Chlorine and Oxygen Evolution Reaction over Transition Metal Oxide Electrodes
    In: ChemElectroChem Jg. 6 (2019) Nr. 13, S. 3401 - 3409
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Design criteria for oxygen evolution electrocatalysts from first principles: : Introduction of a unifying material-screening approach
    In: ACS Applied Energy Materials Jg. 2 (2019) Nr. 11, S. 7991 - 8001
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Is Thermodynamics a Good Descriptor for the Activity? : Re-Investigation of Sabatier's Principle by the Free Energy Diagram in Electrocatalysis
    In: ACS Catalysis Jg. 9 (2019) Nr. 6, S. 5320 - 5329
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Recent Advancements Towards Closing the Gap between Electrocatalysis and Battery Science Communities : The Computational Lithium Electrode and Activity–Stability Volcano Plots
    In: ChemSusChem Jg. 12 (2019) Nr. 11, S. 2330 - 2344
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Sohrabnejad-Eskan, Iman; Over, Herbert
    A Universal Approach to Determine the Free Energy Diagram of an Electrocatalytic Reaction
    In: ACS Catalysis Jg. 8 (2018) Nr. 3, S. 1864 - 1879
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    A short perspective of modeling electrode materials in lithium-ion batteries by the ab initio atomistic thermodynamics approach
    In: Journal of Solid State Electrochemistry Jg. 22 (2018) Nr. 10, S. 3111 - 3117
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Activity – Stability Volcano Plots for the Investigation of Nano-Sized Electrode Materials in Lithium-Ion Batteries
    In: ChemElectroChem Jg. 5 (2018) Nr. 21, S. 3243 - 3248
    Online Volltext: dx.doi.org/
  • Simeonova, Silviya; Georgiev, Peter; Exner, Kai S.; Mihaylov, Lyuben; Nihtianova, Diana; Koynov, Kaloian; Balashev, Konstantin
    Kinetic study of gold nanoparticles synthesized in the presence of chitosan and citric acid
    In: Colloids and Surfaces A: Physicochemical and Engineering Aspects Jg. 557 (2018) S. 106 - 115
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Exner, Kai S.
    Constrained Ab Initio Thermodynamics : Transferring the Concept of Surface Pourbaix Diagrams in Electrocatalysis to Electrode Materials in Lithium-Ion Batteries
    In: ChemElectroChem Jg. 4 (2017) Nr. 12, S. 3231 - 3237
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Sohrabnejad-Eskan, Iman; Anton, Josef; Jacob, Timo; Over, Herbert
    Full Free Energy Diagram of an Electrocatalytic Reaction over a Single-Crystalline Model Electrode
    In: ChemElectroChem Jg. 4 (2017) Nr. 11, S. 2902 - 2908
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Over, Herbert
    Kinetics of Electrocatalytic Reactions from First-Principles : A Critical Comparison with the Ab Initio Thermodynamics Approach
    In: Accounts of Chemical Research Jg. 50 (2017) Nr. 5, S. 1240 - 1247
    Online Volltext: dx.doi.org/
  • Sohrabnejad-Eskan, Iman; Goryachev, Andrey; Exner, Kai S.; Kibler, Ludwig A.; Hensen, Emiel J.M.; Hofmann, Jan P.; Over, Herbert
    Temperature-Dependent Kinetic Studies of the Chlorine Evolution Reaction over RuO₂(110) Model Electrodes
    In: ACS Catalysis Jg. 7 (2017) Nr. 4, S. 2403 - 2411
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Anton, Josef; Jacob, Timo; Over, Herbert
    Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO₂(110) Model Electrode
    In: Angewandte Chemie International Edition Jg. 55 (2016) Nr. 26, S. 7501 - 7504
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Heß, Franziska; Over, Herbert; Seitsonen, Aari Pavo
    Combined experiment and theory approach in surface chemistry : Stairway to heaven?
    In: Surface Science Jg. 640 (2015) S. 165 - 180
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Anton, Josef; Jacob, Timo; Over, Herbert
    Ligand Effects and Their Impact on Electrocatalytic Processes Exemplified with the Oxygen Evolution Reaction (OER) on RuO₂(110)
    In: ChemElectroChem Jg. 2 (2015) Nr. 5, S. 707 - 713
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Anton, Josef; Jacob, Timo; Over, Herbert
    Microscopic Insights into the Chlorine Evolution Reaction on RuO₂(110) : a Mechanistic Ab Initio Atomistic Thermodynamics Study
    In: Electrocatalysis Jg. 6 (2015) Nr. 2, S. 163 - 172
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Anton, Josef; Jacob, Timo; Over, Herbert
    Chlorine Evolution Reaction on RuO₂(110) : Ab initio Atomistic Thermodynamics Study - Pourbaix Diagrams
    In: Electrochimica Acta Jg. 120 (2014) S. 460 - 466
    Online Volltext: dx.doi.org/
  • Exner, Kai S.; Anton, Josef; Jacob, Timo; Over, Herbert
    Controlling selectivity in the chlorine evolution reaction over RuO₂-based catalysts
    In: Angewandte Chemie International Edition Jg. 53 (2014) Nr. 41, S. 11032 - 11035
    Online Volltext: dx.doi.org/

    • Vorworte / Nachworte

  • Kadyk, Thomas; Xiao, Jianping; Ooka, Hideshi; Huang, Jun; Exner, Kai S.
    Editorial: Material and Composition Screening Approaches in Electrocatalysis and Battery Research
    In: Frontiers in Energy Research Jg. 9 (2021) 699376
    Online Volltext: dx.doi.org/ (Open Access)

    • Beiträge in Sammelwerken und Tagungsbänden

  • Exner, Kai
    Elementary reaction steps in electrocatalysis : Theory meets experiment
    In: Encyclopedia of Solid-Liquid Interfaces / Wandelt, Klaus; Bussetti, Gianlorenzo (Hrsg.) 2024, S. V3-65 - V3-92
    Online Volltext: dx.doi.org/
  • Exner, Kai S.
    Recent advancements in AB initio screening of electrode materials for lithium-ion batteries
    In: Lithium-Ion batteries: properties, advantages and limitations / Morneau, Chappell (Hrsg.) 2020, S. 107 - 126
  • Exner, Kai S.
    Advanced ab initio atomistic thermodynamics for lithium-ion batteries
    In: Lithium-ion batteries: materials, applications and technology / Castillo, Lana; Cook, Geoffrey (Hrsg.) 2018, S. 217 - 238