ZMB Member Kai S. Exner

ZMB Member
Kai S. Exner

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portrait photo of ZMB member Kai S. Exner
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Prof. Dr. Kai S. Exner

Group

Theoretical Inorganic Chemistry

Faculty of Chemistry
University of Duisburg-Essen
Universitätsstr. 2
45141 Essen

Research Overview

  1. Drug delivery
  2. Functional nanoparticles
  3. Doxorubicin
  4. Multi-scale modeling

Selected Publications

    Journal articles

  • 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) Vol. 26 (2024) Nr. 34, pp. 22359 - 22370
    Online Full Text: 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 Full Text: 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 Vol. 432 (2024) 114609
    Online Full Text: 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 Vol. 431 (2024) 114560
    Online Full Text: 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 Vol. 7 (2024) Nr. 9, pp. 4057 - 4067
    Online Full Text: 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 Vol. 43 (2024) 101427
    Online Full Text: 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 Vol. 11 (2024) Nr. 26, 2400237
    Online Full Text: 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 Vol. 57 (2024) Nr. 9, pp. 1336 - 1345
    Online Full Text: 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 Vol. 4 (2024) Nr. 7, 101039
    Online Full Text: 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 Vol. 11 (2024) Nr. 5, e202300598
    Online Full Text: 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 Vol. 128 (2024) Nr. 33, pp. 13732 - 13742
    Online Full Text: dx.doi.org/ (Open Access)
  • Exner, Kai
    Toward data‐ and mechanistic‐driven volcano plots in electrocatalysis
    In: Electrochemical Science Advances Vol. 4 (2024) Nr. 2, e2200014
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Razzaq, Samad; Exner, Kai
    Why efficient bifunctional hydrogen electrocatalysis requires a change in the reaction mechanism
    In: iScience Vol. 27 (2024) Nr. 2, 108848
    Online Full Text: 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 Vol. 85 (2023) pp. 288 - 290
    Online Full Text: 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 Vol. 6 (2023) Nr. 10, Special Issue: Computational Materials Science, 2200619
    Online Full Text: 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 Vol. 36 (2023) 101364
    Online Full Text: 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 Vol. 5 (2023) Nr. 1, 014008
    Online Full Text: 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 Vol. 14 (2023) Nr. 1, 3233
    Online Full Text: dx.doi.org/ (Open Access)
  • Exner, Kai
    Importance of the Walden Inversion for the Activity Volcano Plot of Oxygen Evolution
    In: Advanced Science Vol. 10 (2023) Nr. 36, 2305505
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Exner, Kai
    Importance of the volcano slope to comprehend activity and selectivity trends in electrocatalysis
    In: Current Opinion in Electrochemistry Vol. 39 (2023) 101284
    Online Full Text: 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 Vol. 13 (2023) Nr. 3, pp. 1740 - 1758
    Online Full Text: dx.doi.org/ (Open Access)
  • Exner, Kai
    On the concept of metal-hydrogen peroxide batteries : Improvement over metal-air batteries?
    In: Energy Advances Vol. 2 (2023) Nr. 4, pp. 522 - 529
    Online Full Text: 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 Vol. 10 (2023) Nr. 6, 2086
    Online Full Text: 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 Vol. 19 (2023) Nr. 10, 2206485
    Online Full Text: dx.doi.org/ (Open Access)
  • Exner, Kai
    Rapid Screening of Mechanistic Pathways for Oxygen-Reduction Catalysts
    In: ChemCatChem Vol. 15 (2023) Nr. 3, e202201222
    Online Full Text: 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 Vol. 83 (2023) pp. 247 - 254
    Online Full Text: 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 Vol. 3 (2023) Nr. 2, pp. 190 - 198
    Online Full Text: 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 Vol. 421 (2023) pp. 252 - 263
    Online Full Text: 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 Vol. 43 (2022) Nr. 11, pp. 2871 - 2880
    Online Full Text: 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 Vol. 34 (2022) 100979
    Online Full Text: 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 Vol. 6 (2022) Nr. 10, Special Issue: Computational Materials Science, 2200217
    Online Full Text: dx.doi.org/ (Open Access)
  • He, Tianwei; Exner, Kai
    Computational electrochemistry focusing on nanostructured catalysts : challenges and opportunities
    In: Materials Today Energy Vol. 28 (2022) 101083
    Online Full Text: dx.doi.org/ (Open Access)
  • Razzaq, Samad; Exner, Kai
    Method to Determine the Bifunctional Index for the Oxygen Electrocatalysis from Theory
    In: ChemElectroChem Vol. 9 (2022) Nr. 4, e202101603
    Online Full Text: dx.doi.org/ (Open Access)
  • Exner, Kai
    On the Optimization of Nitrogen-Reduction Electrocatalysts : Breaking Scaling Relation or Catalytic Resonance Theory?
    In: ChemCatChem Vol. 14 (2022) Nr. 16, e202200366
    Online Full Text: 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 Vol. 2 (2022) Nr. 4, e2100101
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Razzaq, Samad; Exner, Kai
    Statistical analysis of breaking scaling relation in the oxygen evolution reaction
    In: Electrochimica Acta Vol. 412 (2022) 140125
    Online Full Text: 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 Vol. 2 (2022) Nr. 4, e2100037
    Online Full Text: 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 Vol. 125 (2021) Nr. 19, pp. 10413 - 10421
    Online Full Text: 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 Vol. 8 (2021) Nr. 1, pp. 46 - 48
    Online Full Text: 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 Vol. 862 (2021) 158015
    Online Full Text: 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 Vol. 11 (2021) Nr. 19, pp. 12232 - 12246
    Online Full Text: 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 Vol. 26 (2021) 100673
    Online Full Text: 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 Vol. 125 (2021) Nr. 8, pp. 2098 - 2104
    Online Full Text: dx.doi.org/
  • Exner, Kai
    On the Lattice Oxygen Evolution Mechanism : Avoiding Pitfalls
    In: ChemCatChem Vol. 13 (2021) Nr. 19, pp. 4066 - 4074
    Online Full Text: 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, pp. 133 - 138
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Ooka, Hideshi; Huang, Jun; Exner, Kai S.
    The Sabatier Principle in Electrocatalysis : Basics, Limitations, and Extensions
    In: Frontiers in Energy Research Vol. 9 (2021) 654460
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Exner, Kai
    The electrochemical-step asymmetry index
    In: MethodsX Vol. 8 (2021) 101590
    Online Full Text: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    Why approximating electrocatalytic activity by a single free-energy change is insufficient
    In: Electrochimica Acta Vol. 375 (2021) pp. 137975
    Online Full Text: dx.doi.org/
  • Exner, Kai
    Why the breaking of the OOH versus OH scaling relation might cause decreased electrocatalytic activity
    In: Chem Catalysis Vol. 1 (2021) Nr. 2, pp. 258 - 271
    Online Full Text: 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 Vol. 21 (2021) 100831
    Online Full Text: 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 Vol. 10 (2020) Nr. 21, pp. 12607 - 12617
    Online Full Text: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    Beyond Dimensionally Stable Anodes : Single-Atom Catalysts with Superior Chlorine Selectivity
    In: ChemElectroChem Vol. 7 (2020) Nr. 7, pp. 1528 - 1530
    Online Full Text: 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 Vol. 334 (2020) 135555
    Online Full Text: 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 Vol. 124 (2020) Nr. 1, pp. 822 - 828
    Online Full Text: 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) Vol. 22 (2020) Nr. 39, pp. 22451 - 22458
    Online Full Text: 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 Vol. 59 (2020) Nr. 26, pp. 10236 - 10240
    Online Full Text: dx.doi.org/ (Open Access)
  • Exner, Kai S.
    Electrolyte Engineering as a Key Strategy Towards a Sustainable Energy Scenario?
    In: ChemElectroChem Vol. 7 (2020) Nr. 3, pp. 594 - 595
    Online Full Text: 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 Vol. 194 (2020) 111155
    Online Full Text: dx.doi.org/
  • Exner, Kai S.
    Overpotential-Dependent Volcano Plots to Assess Activity Trends in the Competing Chlorine and Oxygen Evolution Reactions
    In: ChemElectroChem Vol. 7 (2020) Nr. 6, pp. 1448 - 1455
    Online Full Text: 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 Vol. 45 (2020) Nr. 51, pp. 27221 - 27229
    Online Full Text: 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 Vol. 30 (2020) Nr. 42, 2005060
    Online Full Text: 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 Vol. 12 (2020) Nr. 7, pp. 2000 - 2003
    Online Full Text: dx.doi.org/
  • Exner, Kai S.
    Activity-Stability Volcano Plots for Material Optimization in Electrocatalysis
    In: ChemCatChem Vol. 11 (2019) Nr. 14, pp. 3234 - 3241
    Online Full Text: 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 Vol. 9 (2019) Nr. 8, pp. 6755 - 6765
    Online Full Text: 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 Vol. 123 (2019) Nr. 27, pp. 16921 - 16928
    Online Full Text: 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 Vol. 6 (2019) Nr. 13, pp. 3401 - 3409
    Online Full Text: 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 Vol. 2 (2019) Nr. 11, pp. 7991 - 8001
    Online Full Text: 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 Vol. 9 (2019) Nr. 6, pp. 5320 - 5329
    Online Full Text: 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 Vol. 12 (2019) Nr. 11, pp. 2330 - 2344
    Online Full Text: 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 Vol. 8 (2018) Nr. 3, pp. 1864 - 1879
    Online Full Text: 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 Vol. 22 (2018) Nr. 10, pp. 3111 - 3117
    Online Full Text: dx.doi.org/
  • Exner, Kai S.
    Activity – Stability Volcano Plots for the Investigation of Nano-Sized Electrode Materials in Lithium-Ion Batteries
    In: ChemElectroChem Vol. 5 (2018) Nr. 21, pp. 3243 - 3248
    Online Full Text: 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 Vol. 557 (2018) pp. 106 - 115
    Online Full Text: dx.doi.org/ Online Full Text (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 Vol. 4 (2017) Nr. 12, pp. 3231 - 3237
    Online Full Text: 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 Vol. 4 (2017) Nr. 11, pp. 2902 - 2908
    Online Full Text: 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 Vol. 50 (2017) Nr. 5, pp. 1240 - 1247
    Online Full Text: 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 Vol. 7 (2017) Nr. 4, pp. 2403 - 2411
    Online Full Text: 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 Vol. 55 (2016) Nr. 26, pp. 7501 - 7504
    Online Full Text: 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 Vol. 640 (2015) pp. 165 - 180
    Online Full Text: 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 Vol. 2 (2015) Nr. 5, pp. 707 - 713
    Online Full Text: 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 Vol. 6 (2015) Nr. 2, pp. 163 - 172
    Online Full Text: 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 Vol. 120 (2014) pp. 460 - 466
    Online Full Text: 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 Vol. 53 (2014) Nr. 41, pp. 11032 - 11035
    Online Full Text: dx.doi.org/