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CRC/TRR 247
Heterogeneous Oxidation Catalysis in the Liquid Phase

Publications of the TRR 247


  • Antony R. P., Zerdoumi R., Saddeler S., Krysiak O. A., Banko L., Ludwig A., Schuhmann W.: High-Throughput Screening of Co-Fe-Ni Electrocatalysts for High-Current-Density Water Electrolysis. ChemCatChem (Special Issue), 2025, 17, e202401749. DOI: 10.1002/cctc.202401749.
  • Awulachew S. S., Dhaka K., Tayyebi E., Exner K. S.: Atomic-scale insights into the oxygen evolution reaction on hematite: A detailed mechanistic investigation of different surface coverages. J. Mater. Chem. A, 2025, in press. DOI: 10.1039/D5TA04755B.
  • Braun M., Andronescu C.: Deciphering the Electrochemical Activity and Selectivity of Earth‐Abundant Transition Metal‐Based Catalysts for the Alcohol Electrooxidation - Current Status. ChemCatChem, 2025, 17, e202402013. DOI: 10.1002/cctc.202402013.
  • Colinet P., Neese F., Helmich‐Paris B.: Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method. J. Comput. Chem., 2025, 46, e27532. DOI: 10.1002/jcc.27532.
  • Cosanne N., Cruz D., Ticali P., Hajiyani H., Chen S., Zeller P., Götsch T., Klyushin A., Knop-Gericke A., Muhler M., Roldan Cuenya B., Schlögl R., Behrens M., Najafishirtari S.: Dynamic Surface Restructuring and Carbonate-Mediated Pathways in Perovskite-Catalyzed CO Oxidation Revealed by Operando Spectroscopy. ChemRxiv (This content is a preprint and has not been peer-reviewed yet), 2025. DOI: 10.26434/chemrxiv-2025-s2f68.
  • da Costa Gouveia L. T., Maganas D., Neese F.: General Spin-Restricted Open-Shell Configuration Interaction Approach: Application to Metal K-Edge X-ray Absorption Spectra of Ferro- and Antiferromagnetically Coupled Dimers. J. Phys. Chem. A, 2025, 129, 330-345. DOI: 10.1021/acs.jpca.4c05228.
  • Dhaka K., Exner K. S.: Degree of span control to determine the impact of different mechanisms and limiting steps: Oxygen evolution reaction over Co3O4(001) as a case study. J. Catal. 2025, 443, 115970. DOI: 10.1016/j.jcat.2025.115970.

  • Dhaka K., Kenmoe S., Füngerlings A., Pentcheva R., Tschulik K., Exner K. S.: Trends in Oxygen Evolution Reaction Activity and Limiting Steps for Different Active Sites on Co3O4(001). ChemCatChem, 2025, accepted.

  • Dittmer A., da Costa Gouveia T. L., Sivalingam K., DeBeer S., Neese F., Maganas D.: Revisiting the band gap problem in bulk Co3O4 and its isostructural Zn and Al derivatives through the lens of theoretical spectroscopy. Phys. Chem. Chem. Phys., 2025, 27, 17225-17244. DOI: 10.1039/D5CP01735A.

  • Douma D. H., Kenmoe S.: Electronic and Magnetic Properties of Co3O4 and Co3–xNixO4 from DFT-Based Simulations of XANES Spectra at the Co K-Edge. J. Phys. Chem. C, 2025, 129, 699-704. DOI: 10.1021/acs.jpcc.4c06338.
  • Dudarev V., Banko L., Ludwig A.: An extensible open-source solution for research digitalisation in materials science. npj Comput. Mater., 2025, 11, 116. DOI: 10.1038/s41524-025-01618-1.
  • Hareendran A., Sato T., Dreyer M., Rabe A., Salamon S., Sülzner N., Hagemann U., Leiva-Leroy C., Cosanne N., Ravi K., Zhang D., Busser G. W., Behrens M., Hättig C., Wende H., Schnegg A., Muhler M.: Mechanistic and Structural Insights into the Liquid-Phase Oxidation of Cyclohexane over LaCo0.7Fe0.3O3 Perovskite Nanoparticles. ACS Catal., 2025, 15, 12773-12789. DOI: 10.1021/acscatal.5c02919.
  • He B., Bai F., Jain P., Li T.: A Review of Surface Reconstruction and Transformation of 3d Transition-Metal (oxy)Hydroxides and Spinel-Type Oxides during the Oxygen Evolution Reaction. Small, 2025, 21, 2411479. DOI: 10.1002/smll.202411479.
  • He B., Hosseini P., Escalera‐López D., Schulwitz J., Rüdiger O., Hagemann U., Heidelmann M., DeBeer S., Muhler M., Cherevko S., Tschulik K., Li T.: Effects of Dynamic Surface Transformation on the Activity and Stability of Mixed Co‐Mn Cubic Spinel Oxides in the Oxygen Evolution Reaction in Alkaline Media. Adv. Energy Mater., 2025, 15, 2403096. DOI: 10.1002/aenm.202403096.
  • Hosseini P., Rodríguez‐Camargo A., Jiang Y., Zhang S., Scheu C., Yao L., Lotsch B. V., Tschulik K.: Shedding Light on the Active Species in a Cobalt‐Based Covalent Organic Framework for the Electrochemical Oxygen Evolution Reaction. Adv. Sci., 2025, 12, 2413555. DOI: 10.1002/advs.202413555.
  • Khatun E., Ramona G., Sobota L., Bondue C. J., Tschulik K.: Au-Ni Rotating Ring–Disk Electrode (RRDE) study: A new and rapid screening technique for quantitatively detecting aldehyde during electrochemical alcohol oxidation reaction. Electrochim Acta, 2025, 519, 145803. DOI: 10.1016/j.electacta.2025.145803.
  • Neese F., Colinet P., DeSouza B., Helmich-Paris B., Wennmohs F., Becker U.: The “Bubblepole” (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting. J. Phys. Chem. A, 2025, 129, 2618-2637. DOI: 10.1021/acs.jpca.4c07415.
  • Nkou F. B. S., Kenmoe S.: Ethylene glycol partial oxidation on Co3O4 (001) surface: interplay between the solute coverage and solvation. Mol. Catal., 2025, 578, 114980. DOI: 10.1016/j.mcat.2025.114980.
  • Nkou F. B. S., Kenmoe S.: Ethylene glycol partial oxidation on Co3O4 (001) surfaces: pathways to two- and four-electron products. ChemCatChem (Special Issue), 2025, 17, e202401885. DOI: 10.1002/cctc.202401885.

  • Omranpour A., Behler J.: A High-Dimensional Neural Network Potential for Co3O4. J. Phys. Condens. Matter, 2025, 37, 095701. DOI: 10.1088/1361-648X/ad9f09.

  • Omranpour A., Elsner J., Lausch K. N., Behler J.: Machine Learning Potentials for Heterogeneous Catalysis. ACS Catal., 2025, 15, 1616-1634. DOI: 10.1021/acscatal.4c06717.

  • Omranpour A., Behler J.: Insights into the Structure and Dynamics of Water at Co3O4 (001) Using a High-Dimensional Neural Network Potential. arXiv (Chemical physics) (This content is a preprint and has not been peer-reviewed yet), 2025. DOI: 10.48550/arXiv.2509.00322.

  • Schmidt F. P., Götsch T., Najafishirtari S., Behrens M., Pratsch C., Kenmoe S., Douma D. H., Girgsdies F., Allan J., Knop-Gericke A., Lunkenbein T.: Subnanometer Tracking of the Oxidation State on Co3O4 Nanoparticles by Identical Location Imaging and Spectroscopy. ACS Appl. Mater. Interfaces, 2025, 17, 9419-9430. DOI: 10.1021/acsami.4c20690.

  • Tayyebi E., Exner K. S.: Understanding Free-Energy Landscapes in Electrocatalysis: A Case Study on Nitrate Reduction over Au(111). ACS Electrochem., 2025, 1, 910-920. DOI: 10.1021/acselectrochem.4c00210.

  • Usama M., Razzaq S., Hättig C., Steinmann S. N., Exner K. S.: Oxygen evolution reaction on IrO2(110) is governed by Walden-type mechanisms. Nat. Commun., 2025, 16, 6137. DOI: 10.1038/s41467-025-61367-z.

  • Vuijk M., Ducci G., Sandoval L., Pietsch M., Reuter K., Lunkenbein T., Scheurer C.: Physics-Based Synthetic Data Model for Automated Segmentation in Catalysis Microscopy. Microsc. Microanal., 2025, 31, ozae130. DOI: 10.1093/mam/ozae130. 

  • Xiang W., Hernandez S., Hosseini P., Bai F., Hagemann U., Heidelmann M., Li T.: Unveiling Surface Species Formed on Ni‐Fe Spinel Oxides During the Oxygen Evolution Reaction at the Atomic Scale. Adv. Science, 2025, 12, 2501967. DOI: 10.1002/advs.202501967.

  • Bai F., Schulwitz J., Priamushko T., Hagemann U., Kostka A., Heidelmann M., Cherevko S., Muhler M., Li T.: Correlating atomic-scale structural and compositional details of Ca-doped LaCoO3 perovskite nanoparticles with activity and stability towards the oxygen evolution reaction. J. Catal., 2024, 438, 115697. DOI: 10.1016/j.jcat.2024.115697.
  • Büker J., Shang J., Angel S., Budiyanto E., Tüysüz H., Wiggers H., Schulz C., Grünewald M., Peng B., Muhler M.: Tert-butyl hydroperoxide decomposition as a descriptor for liquid-phase hydrocarbon oxidation over transition metal oxide-based catalysts: a screening study (GH-12158WP). ARKIVOC, 2024, 3, 202312158. DOI: 10.24820/ark.5550190.p012.158.
  • Chandra S., Koul A., Zhang J., Seisel S., Schuhmann W.: Electrocatalytic Epoxidation of Cyclooctene on Surface Modified Ni Foam Using Water as Oxygen Source. Chem. Eur. J., 2024, 30, e202303830. DOI: 10.1002/chem.202303830.
  • Cheraparambil H., Vega-Paredes M., Wang Y., Tüysüz H., Scheu C., Weidenthaler C.:  Deciphering the role of Fe impurities in the electrolyte boosting the OER activity of LaNiO3. J. Mater. Chem. A, 2024, 12, 5194. DOI: 10.1039/D3TA06733E.

  • da Costa Gouveia T. L., Maganas D., Neese F.: Restricted Open-Shell Hartree–Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings. J. Phys. Chem. A, 2024, 128, 5041-5053. DOI: 10.1021/acs.jpca.4c00688.

  • Davis E. M., Bergmann A., Kuhlenbeck H., Roldan Cuenya B.: Facet Dependence of the Oxygen Evolution Reaction on Co3O4, CoFe2O4, and Fe3O4 Epitaxial Film Electrocatalysts. J. Am. Chem. Soc. 2024, 146, 13770-13782. DOI: 10.1021/jacs.3c13595.
  • Deitermann M., Sato T., Haver Y., Schnegg A., Muhler M., Mei B. T.: Mechanistic understanding of the thermal-assisted photocatalytic oxidation of methanol-to-formaldehyde with water vapor over Pt/SrTiO3. Phys. Chem. Chem. Phys., 2024, 26, 14960-14969. DOI: 10.1039/d4cp01106f.
  • Dudarev V., Kiselyova N., Ludwig A.: Flexible Materials Properties Management System as a Basis for Data-Centric Systems in Inorganic Materials Science. In: Baixeries J., Ignatov D. I., Kuznetsov S. O., Stupnikov S. (Eds.): DAMDID/RCDL 2023. Communications in Computer and Information Science. Springer, Cham. 2024, v.2086, pp. 91-103. DOI: 10.1007/978-3-031-67826-4_7.
  • Exner K. S.: Editorial Overview: Fundamental and Theoretical Electrochemistry (2024) - Theoretical approaches for energy conversion on various time and length scales. Curr. Opin. Electrochem. 2024, 43, 101427. DOI: 10.1016/j.coelec.2023.101427.
  • Exner K. S.: Four Generations of Volcano Plots for the Oxygen Evolution Reaction: Beyond Proton-Coupled Electron Transfer Steps? Acc. Chem. Res. 2024, 57, 1336–1345. DOI: 10.1021/acs.accounts.4c00048.
  • Exner K. S.: Elementary reaction steps in electrocatalysis: theory meets experiment. Encyclopedia of Solid-Liquid Interfaces, 2024, 65-92. DOI: 10.1016/B978-0-323-85669-0.00025-8.

  • Gerschel P., Angel S., Hammad M., Olean-Oliveira A., Toplak B., Chanda V., Martínez-Hincapié R., Sanden S., Khan A. R., Xing D., Amin A. S., Wiggers H., Hoster H., Čolić V., Andronescu C., Schulz C., Apfel U.-P., Segets D.: Determining materials for energy conversion across scales – The alkaline oxygen evolution reaction. Carbon Energ. 2024, 6, e608. DOI: 10.1002/cey2.608.

  • Haase F., Ortega E., Saddeler S., Schmidt F.-P., Cruz D., Scholten F., Rüscher M., Martini A., Jeon H. S., Herzog A., Hejral U., Davis E. M., Timoshenko J., Knop-Gericke A., Lunkenbein T., Schulz S., Bergmann A., Roldan Cuenya B.: Role of Fe Decoration on the Oxygen Evolving State of Co3O4 Nanocatalysts. Energy Environ. Sci. 2024, 17, 2046-2058. DOI: 10.1039/D3EE02809G.
  • Hammad M., Amin A., Asghar A., Anwar O., Salamon S., Landers J., Kräenbring M.-A., Jain A., Hardt S., Wiggers H., Schmidt T. C., Wende H., Schulz C., Segets D.: Polyacrylic acid functionalized superparamagnetic iron-oxide supraparticles for highly efficient adsorption and removal of contaminants from water. J. Water Process Eng., 2024, 66, 106025. DOI: 10.1016/j.jwpe.2024.106025.
  • Hareendran A., Dreyer M., Sato T., Cosanne N., Leiva Leroy C., Peng B., Behrens M., Schnegg A., Muhler M.: Aerobic Oxidation of Cyclohexane over LaCoxFe1-xO3 Perovskites in the Liquid Phase. Mol. Catal. 2024, 569, 114615. DOI: 10.1016/j.mcat.2024.114615.
  • Jeuken L. J. C., Hetterscheid D. G. H., Koper M. T. M., Casadevall C., Léger C., Llobet A., Milton R. D., Nakamura R., Tschulik K.: Toward an informative comparison of heterogeneous, synthetic, and biological electrocatalysis in energy conversion. Chem Catal. 2024, 4, 101098. DOI: 10.1016/j.checat.2024.101098.
  • Koul A., Chandra S., Schuhmann W.: Selective lactic acid synthesis via ethylene glycol electrooxidation in borate buffer. Chem. Commun., 2024, 60, 7902-7905. DOI: 10.1039/D4CC02556C.
  • Kox T., Kenmoe S.: Co3O4 (111) surfaces in contact with water: molecular dynamics study of the surface chemistry and structure at room temperature. Dalton Trans. 2024, 53, 13184-13194. DOI: 10.1039/D4DT01335B.
  • Kumar A., Gil-Sepulcre M., Fandré J. P., Rüdiger O., Kim M. G., DeBeer S., Tüysüz H.: Regulating Local Coordination Sphere of Ir Single Atoms at the Atomic Interface for Efficient Oxygen Evolution Reaction. J. Am. Chem. Soc. 2024, 146, 32953-32964. DOI: 10.1021/jacs.4c08847.
  • Kumar A., Gil‐Sepulcre M., Lee J., Bui V. Q., Wang Y., Rüdiger O., Kim M. G., DeBeer S., Tüysüz H.: Iridium Single‐Atom‐Ensembles Stabilized on Mn‐Substituted Spinel Oxide for Durable Acidic Water Electrolysis. Adv. Mater., 2024, 36, 2401648. DOI: 10.1002/adma.202401648.
  • Lau K., Giera B., Barcikowski S., Reichenberger S.: The multivariate interaction between Au and TiO2 colloids: the role of surface potential, concentration, and defects. Nanoscale, 2024, 16, 2552-2564. DOI: 10.1039/D3NR06205H.
  • Lau K., Zerebecki S., Pielsticker L., Hetaba W., Dhaka K., Exner K. S., Reichenberger S., Barcikowski S.: Fluoride Substitution: Quantifying Surface Hydroxyls of Metal Oxides with Fluoride Ions. Adv. Mater. Interfaces 2024, 11, 2400237. DOI: 10.1002/admi.202400237.
  • Masliuk L., Nam K., Terban M. W., Lee Y., Kube P., Delgado D., Girgsdies F., Reuter K., Schlögl R., Trunschke A., Scheurer C., Zobel M., Lunkenbein T.: Linking Bulk and Surface Structures in Complex Mixed Oxides. ACS Catal., 2024, 14, 9018-9033. DOI: 10.1021/acscatal.3c05230.
  • Meng L., Tayyebi E., Exner K. S., Viñes F., Illas F.: MXenes as Electrocatalysts for the CO2 Reduction Reaction: Recent Advances and Future Challenges. ChemElectroChem, 2024, e202300598. DOI: 10.1002/celc.202300598.
  • Omranpoor A. H., Kenmoe S.: 2-Propanol Activation on the Low Index Co3O4 Surfaces: A Comparative Study Using Molecular Dynamics Simulations. J. Catal., 2024, 14, 25. DOI: 10.3390/catal14010025.
  • Omranpour A., Montero De Hijes P., Behler J., Dellago C.: Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials. J. Chem. Phys., 2024, 160, 170901. DOI: 10.1063/5.0201241.
  • Pflieger C., Eckhard T., Böttger J., Schulwitz J., Herrendorf T., Schmidt S., Salamon S., Landers J., Wende H., Kleist W., Muhler M., Cerciello F.: The catalytic effect of iron oxide phases on the conversion of cellulose-derived chars in diluted O2 and CO2. Appl. Energy, 2024, 353, Part A, 122068. DOI: 10.1016/j.apenergy.2023.122068.
  • Piotrowiak T. H., Krysiak O. A., Suhr E., Zhang J., Zehl R., Kostka A., Schuhmann W., Ludwig A.: Sputter-deposited La-Co-Mn-O nanocolumns as stable electrocatalyst for the oxygen evolution reaction. small struct. 2024, 5, 2300415. DOI: 10.1002/sstr.202300415.
  • Placke-Yan C., Bendt G., Salamon S., Landers J., Wende H., Hagemann U., Schulz S.: Versatile synthesis of sub 10 nm sized metal-doped MxCo3-xO4 nanoparticles and their electrocatalytic OER activity. Mater. Adv., 2024, 5, 3482-3489. DOI: 10.1039/D4MA00088A.
  • Qiu C., Maroun F., Bouvier M., Pacheco I., Allongue P., Wiegmann T., Hendric Scharf C., De Manuel‐Gonzalez V., Reikowski F., Stettner J., Magnussen O. M.: Operando Surface X‐Ray Diffraction Studies of Epitaxial Co3O4 and CoOOH Thin Films During Oxygen Evolution: pH Dependence. ChemCatChem (Special Issue), 2024, 16, e202400988. DOI: 10.1002/cctc.202400988.
  • Rafiezadeh S., Begum-Hudde V., Pentcheva R.: Electronic and optical properties of the fully and partially inverse CoFe2O4 spinel from first principles calculations including many-body effects. Phys. Rev. B, 2024, 109, 195172. DOI: 10.1103/PhysRevB.109.195172.
  • Razzaq S., Exner K.S.: Why efficient bifunctional hydrogen electrocatalysis requires a change in the reaction mechanism. iScience, 2024, 27, 108848. DOI: 10.1016/j.isci.2024.108848.
  • Razzaq S., Faridi S., Kenmoe S., Usama M., Singh D., Meng L., Vines F., Illas F., Exner K. S.: MXenes Spontaneously Form Active and Selective Single-Atom Centers under Anodic Polarization Conditions. J. Am. Chem. Soc. 2024, 147, 161-168. DOI: 10.1021/jacs.4c08518.
  • Saddeler S., Hagemann U., Bendt G., Schulz S.: Core Shell Co3O4@CoO Nanoparticles for Enhanced OER Activity. ChemCatChem (Special Issue), 2024, e202301327. DOI: 10.1002/cctc.202301327.
  • Sandoval-Diaz L., Cruz D., Vuijk M., Ducci G., Hävecker M., Jiang W., Plodinec M., Hammud A., Ivanov D., Götsch T., Reuter K., Schlögl R., Scheurer C., Knop-Gericke A., Lunkenbein T.:  Metastable nickel–oxygen species modulate rate oscillations during dry reforming of methane. Nat. Catal. 2024. DOI: 10.1038/s41929-023-01090-4.
  • Schmidt M. Ch., Smyczek J., Hubert P., Cieminski M., Kohlmorgen P., Schauermann S.: Growth of ultrathin cobalt oxide films on Pd(100): Refined structural model. Surf. Sci. 2024, 742, 122451. DOI: 10.1016/j.susc.2024.122451.
  • Sobota L., Bondue C. J., Hosseini P., Kaiser C., Spallek M., Tschulik K.: Impact of the Electrochemically Inert Furan Ring on the Oxidation of the Alcohol and Aldehyde Functional Group of 5-Hydroxymethylfurfural (HMF). ChemElectroChem, 2024, 11, e202300151. DOI: 10.1002/celc.202300151.
  • Sokolov M., Exner K. S.: Is the ∗O vs. ∗OH scaling relation intercept more relevant than the ∗OOH vs. ∗OH intercept to capture trends in the oxygen evolution reaction? Chem Catal. 2024, 4, 101039. DOI: 10.1016/j.checat.2024.101039.
  • Sokolov M., Mastrikov Y. A., Bocharov D., Krasnenko V., Zvejnieks G., Exner K. S., Kotomin E. A.: Computational study of oxygen evolution reaction on flat and stepped surfaces of strontium titanate. Catal. Today 2024, 432, 114609. DOI: 10.1016/j.cattod.2024.114609.
  • Tack M., Usama M., Kazamer N., Exner K. S., Brodmann M., Barcikowski S., Reichenberger S.: Continuous and Scalable Laser Synthesis of Atom Clusters with Tunable Surface Oxidation for Electrocatalytic Water Splitting. ACS Appl. Energy Mater., 2024, 7, 4057-4067. DOI: 10.1021/acsaem.4c00342.
  • Tayyebi E., Exner K. S.: Refining Free-Energy Calculations for Electrochemical Reactions: Unveiling Corrections beyond Gas-Phase Errors for Solvated Species and Ions. J. Phys. Chem. C 2024, 128, 13732–13742. DOI: 10.1021/acs.jpcc.4c04130.

  • Tüysüz H.: Alkaline water electrolysis for green hydrogen production. Acc. Chem. Res. 2024, 57, 558-567. DOI: 10.1021/acs.accounts.3c00709.

  • Verma M., Pentcheva R.: Tuning the carrier localization, magnetic and thermoelectric properties of ultrathin (LaNiO3-δ)1/(LaAlO3)1(001) superlattices by oxygen vacancies. Phys. Rev. Res. 2024, 6, 013189. DOI: 10.1103/PhysRevResearch.6.013189.
  • Wu T., Dhaka K., Luo M., Wang B., Wang M., Xi S., Zhang M., Huang F., Exner K. S., Lum Y.: Cooperative Active Sites on Ag2Pt3TiS6 for Enhanced Low-Temperature Ammonia Fuel Cell Electrocatalysis. Angew. Chem., Int. Ed., 2024, 64, e202418691. DOI: 10.1002/anie.202418691.
  • Zerdoumi R. Ludwig A., Schuhmann W.: High entropy intermetallic compounds: A discovery platform for structure–property correlations and materials design principles in electrocatalysis. Curr. Opin. Electrochem. 2024, 48, 101590. DOI: 10.1016/j.coelec.2024.101590.
  • Zhang J., Kumari B., Quast T., Cychy S., Sanjuán I., Muhler M., Schuhmann W., Andronescu C.: Surface Reconstruction Induced by Preconditioning in Different Electrolytes Impacts Electrooxidation of Solketal on Multi-Metal-Based Catalysts. Adv. Funct. Mater. 2024, early view: 2419911. DOI: 10.1002/adfm.202419911.

  • Angel S., Braun M., Alkan B., Landers J., Salamon S., Wende H., Andronescu C., Schulz C., Wiggers H.: Spray-Flame Synthesis of LaFexCo1–xO3 (x = 0.2, 0.3) Perovskite Nanoparticles for Oxygen Evolution Reaction in Water Splitting: Effect of Precursor Chemistry (Acetates and Nitrates). J. Phys. Chem. A, 2023, 127, 2564-2576. DOI: 10.1021/acs.jpca.2c06601.

  • Antony R. P., Cechanaviciute I. A., Quast T., Zerdoumi R., Saddeler S., Junqueira J. R. C., Schuhmann W.: Deep reconstruction of Mo-based OER pre-catalysts in water electrolysis at high current densities. ChemCatChem, 2023, 15, e202301023. DOI: 10.1002/cctc.202301023.

  • Banko L, Tetteh E. B., Kostka A., Piotrowiak T. H., Krysiak O. A., Hagemann U., Andronescu C., Schuhmann W., Ludwig A.: Microscale Combinatorial Libraries for the Discovery of High-Entropy Materials. Adv. Mater. 2023, 35, 2207635. DOI: 10.1002/adma.202207635.

  • Bera A., Bullert D., Linke M., Franzka S., Hagemann U., Hartmann N., Hasselbrink E.: Interaction of 2-propanol with predominantly SrO- and TiO2-terminated SrTiO3(100) surfaces studied by vibrational sum frequency spectroscopy. Catal. Sci. Technol. 2023,13, 4988-4995 DOI: 10.1039/D3CY00310H.

  • Bondue C. J., Koper M. T. M., Tschulik K.: A Versatile and Easy Method to Calibrate a Two-Compartment Flow Cell for Differential Electrochemical Mass Spectrometry Measurements. ACS Meas. Sci. Au. 2023, 3, 277-286. DOI: 10.1021/acsmeasuresciau.3c00009.

  • Bondue C. J., Spallek M., Sobota L., Tschulik K.: Electrochemical Aldehyde Oxidation at Gold Electrodes: gem-Diol, non-Hydrated Aldehyde, and Diolate as Electroactive Species. ChemSusChem, 2023, 16, e202300685. DOI: 10.1002/cssc.202300685.

  • Budiyanto E., Ochoa-Hernández C., Tüysüz H.: Impact of alkaline treatment on mesostructured cobalt oxide for the oxygen evolution reaction. Adv. Sustain. Syst. 2023, 7, 2200499. DOI: 10.1002/adsu.202200499.

  • Büker J., Muhler M., Peng B.: Concepts of Heterogeneously Catalyzed Liquid‐Phase Oxidation of Cyclohexene with tert‐Butyl Hydroperoxide, Hydrogen Peroxide and Molecular Oxygen. ChemCatChem, 2023,15, e202201216. DOI: 10.1002/cctc.202201216.
  • Davis E. M., Bergmann A., Zhan C., Kuhlenbeck H., Roldán Cuenya B.: Comparative study of Co3O4(111), CoFe2O4(111), and Fe3O4(111) thin film electrocatalysts for the oxygen evolution reaction. Nat. Commun. 2023, 14, 4791. DOI: 10.1038/s41467-023-40461-0.

  • Douma D. H., Nchimi Nono K., Omranpoor A. H., Lamperti A., Debernardi A., Kenmoe S.: Probing the Local Environment of Active Sites during 2-Propanol Oxidation to Acetone on the Co3O4 (001) Surface: Insights from First-Principles O K-Edge XANES Spectroscopy. J. Phys. Chem. C, 2023, 127, 5351-5357. DOI: 10.1021/acs.jpcc.2c08959.

  • Exner K. S.: Importance of the Walden Inversion for the Activity Volcano Plot of Oxygen Evolution. Adv. Sci. 2023, 2305505. DOI: 10.1002/advs.202305505.

  • Exner K. S.: Combining descriptor-based analyses and mean-field modeling of the electrochemical interface to comprehend trends of catalytic processes at the solid/liquid interface. J. Energy Chem. 2023, 85, 288-290. DOI: 10.1016/j.jechem.2023.06.025.

  • Exner K. S.: How data-driven approaches advance the search for materials relevant to energy conversion and storage. Mater. Today Energy, 2023, 36, 101364. DOI: 10.1016/j.mtener.2023.101364.

  • Exner K. S.: Implications of the M-OO••OO-M recombination mechanism on materials screening and the oxygen evolution reaction. J. Phys. Energy, 2023, 5, 014008. DOI: 10.1088/2515-7655/aca82a.

  • Exner K. S.: Standard-state entropies and their impact on the potential-dependent apparent activation energy in electrocatalysis. J. Energy Chem. 2023, 83, 247-254. DOI: 10.1016/j.jechem.2023.04.020.

  • Exner K. S.: Importance of the volcano slope to comprehend activity and selectivity trends in electrocatalysis. Curr. Opin. Electrochem. 2023, 39, 101284. DOI: 10.1016/j.coelec.2023.101284.

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