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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

  • 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 , Jg. 64 2025 , Nr. 6 , e202418691 , in press
    DOI (Open Access)
  • Jangjooye Shaldehi, Tahereh; Rowshanzamir, Soosan; Exner, Kai S.; Viñes, Francesc; Illas, Francesc
    Conventional versus Unconventional Oxygen Reduction Reaction Intermediates on Single Atom Catalysts
    In: ACS Applied Materials & Interfaces , Jg. 17 2025 , Nr. 4 , S. 6450 - 6459
    DOI
  • Dhaka, Kapil; Exner, Kai
    Degree of span control to determine the impact of different mechanisms and limiting steps : Oxygen evolution reaction over Co₃O₄(001) as a case study
    In: Journal of Catalysis , Jg. 443 2025 , 115970
    DOI (Open Access)
  • Usama, Muhammad; Razzaq, Samad; Exner, Kai
    Design Criteria for Active and Selective Catalysts in the Nitrogen Oxidation Reaction
    In: ACS Physical Chemistry Au , Jg. 5 2025 , Nr. 1 , S. 38 - 46
    DOI (Open Access)
  • Hernández-Castillo, David; Exner, Kai
    Iridium nanoparticles embedded in ceria set a new benchmark for PEM water electrolyzers
    In: Chem Catalysis , Jg. 5 2025 , Nr. 4 , 101355
    DOI
  • Razzaq, Samad; Faridi, Shohreh; Kenmoe, Stephane; Usama, Muhammad; Singh, Diwakar; Meng, Ling; Vines, Francesc; Illas, Francesc; Exner, Kai
    MXenes Spontaneously Form Active and Selective Single-Atom Centers under Anodic Polarization Conditions
    In: Journal of the American Chemical Society: JACS , Jg. 147 2025 , Nr. 1 , S. 161 - 168
    DOI (Open Access)
  • Singh, Diwakar; Razzaq, Samad; Faridi, Shohreh; Exner, Kai
    Selective nitrogen reduction reaction on single-atom centers of molybdenum-based MXenes by pulsing the electrochemical potential
    In: Materials Today , Jg. 86 2025 , S. 575 - 579
    DOI (Open Access)
  • Singh, Diwakar; Razzaq, Samad; Tayyebi, Ebrahim; Exner, Kai S.
    Selectivity Control in the Nitrogen Reduction Reaction over Mo₂C MXene by a Nitrogen-Rich Environment
    In: ACS Catalysis , Jg. 15 2025 , S. 5589 - 5600
    DOI (Open Access)
  • Meng, Ling; Viñes, Francesc; Illas, Francesc; Exner, Kai
    Stability of Single-Atom Centers of MXenes under Anodic Polarization Conditions
    In: Journal of Physical Chemistry C: Nanomaterials and Interfaces , Jg. 129 2025 , Nr. 21 , S. 9589 - 9601
    DOI (Open Access)
  • Singh, Diwakar; Razzaq, Samad; Exner, Kai
    Steering intrinsic activity in electrochemical nitrogen reduction reaction by coupling catalytic resonance theory and breaking scaling relation
    In: Electrochimica Acta , Jg. 530 2025 , 146391
    DOI (Open Access)
  • Faridi, Shohreh; Razzaq, Samad; Singh, Diwakar; Meng, Ling; Viñes, Francesc; Illas, Francesc; Exner, Kai S.
    Trends in competing oxygen and chlorine evolution reactions over electrochemically formed single-atom centers of MXenes
    In: Journal of Materials Chemistry A: Materials for Energy and Sustainability , Jg. 13 2025 , Nr. 22 , S. 16481 - 16490
    DOI (Open Access)
  • Lozano-Reis, Pablo; Exner, Kai
    Unveiling selectivity trends for CO₂ reduction reaction over Ti₃C₂Tₓ MXene : the key role of less-stable intermediate states and coadsorbates
    In: Materials Horizons 2025 , in press
    DOI (Open Access)
  • 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
    DOI (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
    DOI
  • 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
    DOI (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
    DOI
  • 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
    DOI
  • 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
    DOI (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
    DOI (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
    DOI (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
    DOI (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
    DOI (Open Access)
  • Exner, Kai
    Toward data‐ and mechanistic‐driven volcano plots in electrocatalysis
    In: Electrochemical Science Advances , Jg. 4 2024 , Nr. 2 , e2200014
    DOI, 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
    DOI (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
    DOI (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
    DOI (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
    DOI (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
    DOI (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
    DOI (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
    DOI, 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
    DOI (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
    DOI (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
    DOI (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
    DOI (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
    DOI (Open Access)
  • Exner, Kai
    Rapid Screening of Mechanistic Pathways for Oxygen-Reduction Catalysts
    In: ChemCatChem , Jg. 15 2023 , Nr. 3 , e202201222
    DOI (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
    DOI (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
    DOI (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
    DOI (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
    DOI
  • 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
    DOI (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
    DOI (Open Access)
  • He, Tianwei; Exner, Kai
    Computational electrochemistry focusing on nanostructured catalysts : challenges and opportunities
    In: Materials Today Energy , Jg. 28 2022 , 101083
    DOI (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
    DOI (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
    DOI (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
    DOI, 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
    DOI (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
    DOI (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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • Exner, Kai
    On the Lattice Oxygen Evolution Mechanism : Avoiding Pitfalls
    In: ChemCatChem , Jg. 13 2021 , Nr. 19 , S. 4066 - 4074
    DOI (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
    DOI, 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
    DOI, Online Volltext (Open Access)
  • Exner, Kai
    The electrochemical-step asymmetry index
    In: MethodsX , Jg. 8 2021 , 101590
    DOI (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
    DOI
  • 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
    DOI (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
    DOI (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
    DOI (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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI (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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • Exner, Kai S.
    Activity-Stability Volcano Plots for Material Optimization in Electrocatalysis
    In: ChemCatChem , Jg. 11 2019 , Nr. 14 , S. 3234 - 3241
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI (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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI

    • 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
    DOI (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
    DOI
  • 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