ZMB Member Kai S. Exner

ZMB Member
Kai S. Exner

Next ZMB-Member
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

  • 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 , Vol. 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 , Vol. 17 2025, Nr. 4, pp. 6450 – 6459
    DOI
  • Usama, Muhammad; Razzaq, Samad; Exner, Kai
    Design Criteria for Active and Selective Catalysts in the Nitrogen Oxidation Reaction
    In: ACS Physical Chemistry Au , Vol. 5 2025, Nr. 1, pp. 38 – 46
    DOI (Open Access)
  • Gyan-Barimah, Caleb; Dhaka, Kapil; Lee, Ha-Young; Wei, Yi; Maulana, Muhammad Irfansyah; Yu, Jeong-Hoon; Yu, Bo; Exner, Kai; Yu, Jong-Sung
    Intermetallic Platinum-Calcium Alloy Breaks the Activity-Stability Trade-Off in Fuel Cell for Enhanced Performance
    In: Small 2025 , in press
    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 , Vol. 15 2025, pp. 5589 – 5600
    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)
  • 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
    DOI (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
    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 , Vol. 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 , Vol. 10 2023, Nr. 36, 2305505
    DOI, Online Full Text (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
    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 , Vol. 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 , Vol. 19 2023, Nr. 10, 2206485
    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 , Vol. 3 2023, Nr. 2, pp. 190 – 198
    DOI (Open Access)
  • 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
    DOI
  • Exner, Kai
    The electrochemical-step asymmetry index
    In: MethodsX , Vol. 8 2021, 101590
    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 , Vol. 10 2020, Nr. 21, pp. 12607 – 12617
    DOI (Open Access)
  • 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
    DOI (Open Access)
  • 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
    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 , Vol. 9 2019, Nr. 8, pp. 6755 – 6765
    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 , Vol. 9 2019, Nr. 6, pp. 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 , Vol. 12 2019, Nr. 11, pp. 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 , Vol. 8 2018, Nr. 3, pp. 1864 – 1879
    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 , Vol. 50 2017, Nr. 5, pp. 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 , Vol. 7 2017, Nr. 4, pp. 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 , Vol. 55 2016, Nr. 26, pp. 7501 – 7504
    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 , Vol. 53 2014, Nr. 41, pp. 11032 – 11035
    DOI