TO TOP

CRC/TRR 247
Heterogeneous Oxidation Catalysis in the Liquid Phase

Publications of the TRR 247


  • 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.

  • 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.

  • Exner K. S.: On the mechanistic complexity of oxygen evolution: potential-dependent switching of the mechanism at the volcano apex. Mater. Horiz. 2023, 10, 2086. DOI: 10.1039/d3mh00047h.

  • Exner K. S.: Toward data- and mechanistic-driven volcano plots in electrocatalysis. ELSA, 2023, e2200014. DOI: 10.1002/elsa.202200014.

  • Exner K. S.: On the concept of metal–hydrogen peroxide batteries: improvement over metal–air batteries? Energy Adv. 2023, 2, 522. DOI: 10.1039/d3ya00002h.

  • Exner K. S.: Steering Selectivity in the Four-Electron and Two-Electron Oxygen Reduction Reactions: On the Importance of the Volcano Slope. ACS Phys. Chem. Au. 2023, 3, 190-198. DOI: 10.1021/acsphyschemau.2c00054.

  • Exner K. S.: Elementary reaction steps in electrocatalysis: theory meets experiment. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2023. DOI: 10.1016/B978-0-323-85669-0.00025-8.

  • Lau K., Niemann F., Abdiaziz K., Heidelmann M., Yang Y., Tong Y., Fechtelkord M., Schmidt T. C., Schnegg A., Campen R. K., Peng B., Muhler M., Reichenberger S., Barcikowski S.: Differentiating between Acidic and Basic Surface Hydroxyls on Metal Oxides by Fluoride Substitution: A Case Study on Blue TiO2 from Laser Defect Engineering. Angew. Chem., Int. Ed. 2023, 62, e202213968. DOI: 10.1002/anie.202213968.

  • Luan C., Corva M., Hagemann U., Wang H., Heidelmann M., Tschulik K., Li T.: Atomic-Scale Insights into Morphological, Structural, and Compositional Evolution of CoOOH during Oxygen Evolution Reaction. ACS Catal. 2023, 13, 1400-1411. DOI: 10.1021/acscatal.2c03903.

  • Omranpoor A. H., Bera A., Buller D., Linke M., Salamon S. Webers S., Wende H., Hasselbrink E., Spohr E., Kenmoe S.: 2-Propanol interacting with Co3O4(001): A combined vSFS and AIMD study. J. Chem. Phys. 2023, 158, 164703. DOI: 10.1063/5.0142707.

  • Pacheco I., Bouvier M., Magnussen O. M., Allongue P., Maroun F.: Growth of ultrathin well-defined and crystalline films of Co3O4 and CoOOH by electrodeposition. J. Electrochem. Soc. 2023, 170, 012501. DOI: 10.1149/1945-7111/acafaa.

  • Razzaq S., Exner K. S.: Materials Screening by the Descriptor Gmax(η): The Free-Energy Span Model in Electrocatalysis. ACS Catal. 2023, 13, 1740-1758. DOI: 10.1021/acscatal.2c03997.

  • Spellauge M., Tack M., Streubel R., Miertz M., Exner K. S., Reichenberger S., Barcikowski S., Huber H. P., Ziefuss A. R.: Photomechanical Laser Fragmentation of IrO2 Microparticles for the Synthesis of Active and Redox-Sensitive Colloidal Nanoclusters. Small, 2023, 19, 2206485. DOI: 10.1002/smll.202206485.

  • Tang D., Shen Z., Lechler S., Lu G., Yao L., Hu Y., Huang X., Muhler M., Zhao G., Peng B.: Aerobic oxidative lactonization of diols at room temperature over defective titanium-based oxides in water. J. Catal. 2023, 418, 237-246. DOI: 10.1016/j.jcat.2023.01.025.

  • Büker J., Angel S., Salamon S., Landers J., Falk T., Wende H., Wiggers H., Schulz C., Muhler M., Peng B.: Structure-activity correlation in aerobic cyclohexene oxidation and peroxide decomposition over CoxFe3-xO4 spinel oxides. Catal. Sci. Technol. 2022, 12, 3594-3605. DOI: 10.1039/D2CY00505K.
  • Büker J., Peng B.: Mechanistic insights into liquid-phase autoxidation of cyclohexene in acetonitrile. Mol. Catal. 2022, 525, 112367. DOI: 10.1016/j.mcat.2022.112367.
  • Budiyanto E., Salamon S., Wang Y., Wende H., Tüysüz H.: Phase Segregation of Cobalt Iron Oxide Nanowires Towards Enhanced Oxygen Evolution Reaction Activity. JACS Au, 2022, 2, 3, 697-710. DOI: 10.1021/jacsau.1c00561.
  • Exner K. S.: Rapid Screening of Mechanistic Pathways for Oxygen-Reduction Catalysts. ChemCatChem, 2022, e202201222. DOI: 10.1002/cctc.202201222.
  • Exner K. S.: Blickpunkt Nachwuchs: Theoretische Elektrokatalyse. Nachrichten aus der Chemie, 2022, 70, 82-84. DOI: 10.1002/nadc.20224125416.
  • Falk T., Budiyanto E., Dreyer M., Büker J., Weidenthaler C., Behrens M., Tüysüz H., Muhler M., Peng B.: Doping of Nanostructured Co3O4 with Cr, Mn, Fe, Ni, and Cu for the Selective Oxidation of 2-Propanol. ACS Appl. Nano Mater. 2022, 5, 17783-17794. DOI: 10.1021/acsanm.2c03757.
  • Geiss J., Falk T., Ognjanovic S., Anke S., Peng B., Muhler M., Winterer M.: Atom Pair Frequencies as a Quantitative Structure–Activity Relationship for Catalytic 2-Propanol Oxidation over Nanocrystalline Cobalt–Iron–Spinel. J. Phys. Chem. C, 2022, 126, 25, 10346-10358. DOI: 10.1021/acs.jpcc.2c00788.
  • He, T, Exner K. S.: Computational Electrochemistry Focusing on Nanostructured Catalysts: Challenges and Opportunities. Mater. Today Energy, 2022, 28, 101083. DOI: 10.1016/j.mtener.2022.101083.
  • Jaugstetter M., Blanc N., Kratz M., Tschulik K.: Electrochemistry under Confinement. Chem. Soc. Rev. 2022, 51, 2491-2543. DOI: 10.1039/D1CS00789K. 
  • Kenmoe, S, Douma D. H., Raji A. T., M’Passi-Mabiala B., Götsch T., Girgsdies F., Knop-Gericke A., Schlögl R., Spohr E.: X-ray Absorption Near-Edge Structure (XANES) at the O K-Edge of Bulk Co3O4: Experimental and Theoretical Studies. J. Nanomater. 2022, 12, 921. DOI: 10.3390/nano12060921.
  • Klein J., Kampermann L., Korte J., Dreyer M., Budiyanto E., Tüysüz H., Ortega K. F., Behrens M., Bacher G.: Monitoring Catalytic 2‑Propanol Oxidation over Co3O4 Nanowires via In Situ Photoluminescence Spectroscopy. J. Phys. Chem. Lett. 2022, 13, 3217. DOI: 10.1021/acs.jpclett.2c00098.
  • Kox T., Omranpoor A. H., Kenmoe S.: Structure and Reactivity of CoFe2O4(001) Surfaces in Contact with a Thin Water Film. Physchem, 2022, 2, 321-333. DOI: 10.3390/physchem2040023.

  • Li T., Devaraj A., Kruse N.: Atomic-scale characterization of (electro-)catalysts and battery materials by atom probe tomography. Cell Rep. Phys. Sci. 2022, 3, 101188. DOI: 10.1016/j.xcrp.2022.101188.

  • Moon G., Wang Y., Kim S., Budiyanto E., Tüysüz H.: Preparation of Practical High-Performance Electrodes for Acidic and Alkaline Media Water Electrolysis. ChemSusChem 2022, 15, e202102114. DOI: 10.1002/cssc.202102114.

  • Omranpoor A. H., Kox T., E. Spohr, Kenmoe S.: Influence of temperature, surface composition and electrochemical environment on 2-propanol decomposition at the Co3O4(001)/H2O interface. Appl. Surf. Sci. 2022, 12, 100319. DOI: 10.1016/j.apsadv.2022.100319.

  • Priamushko T., Budiyanto E., Eshraghi N., Weidenthaler C., Kahr J., Hahn M., Tüysüz H., Kleitz F.: Incorporation of Cu/Ni in ordered mesoporous Co-based spinels to facilitate oxygen evolution and reduction reactions in alkaline media and aprotic Li-O2 batteries. ChemSusChem 2022, 15, e202102404. DOI: 10.1002/cssc.202102404.
  • Razzaq S., Exner K. S.: Method to Determine the Bifunctional Index for the Oxygen Electrocatalysis from Theory. ChemElectroChem, 2022, 9, e202101603. DOI: 10.1002/celc.202101603.
  • Razzaq S., Exner K. S.: Statistical Analysis of Breaking Scaling Relation in the Oxygen Evolution Reaction. Electrochim. Acta, 2022, 412, 140125. DOI: 10.1016/j.electacta.2022.140125.
  • Rushiti A., Falk T., Muhler M., Haettig C.: Interactions of Water and Short-Chain Alcohols with CoFe2O4 (001) Surfaces at Low Coverages. Phys. Chem. Chem. Phys. 2022, 24, 23195-23208. DOI: 10.1039/D2CP02480B.
  • Saw E. N., Kanokkanchana K., Amin H. M. A., Tschulik K.: Unravelling Anion Solvation in Water-Alcohol Mixtures by Single Entity Electrochemistry. ChemElectroChem, 2022, e202101435. DOI: 10.1002/celc.202101435.
  • Xiang W., Yang N., Li X., Linnemann J., Hagemann U., Ruediger O., Heidelmann M., Falk T., Aramini M., DeBeer S., Muhler M., Tschulik K., Li T.: 3D atomic-scale imaging of mixed Co-Fe spinel oxide nanoparticles during oxygen evolution reaction. Nat. Commun. 2022, 13, 179. DOI: 10.1038/s41467-021-27788-2.
  • Zerebecki S., Salamon S., Lander J., Yang Y., Tong Y., Budiyanto E., Waffel D., Dreier M., Saddeler S., Kox T., Kenmoe S., Spohr E., Schulz S., Behrens M., Muhler M., Tüysüz H., Campen R. K., Wende H., Reichenberger S., Barcikowski S.: Engineering of Cation Occupancy of CoFe2O4 Oxidation Catalysts by Nanosecond, Single-Pulse Laser Excitation in Water. ChemCatChem, 2022, 14, e202101785. DOI: 10.1002/cctc.202101785.
  • Zerebecki S., Schott K., Salamon S., Landers J., Wende H., Budiyanto E., Tüysüz H., Barcikowski S., Reichenberger S.: Gradually Fe-Doped Co3O4 Nanoparticles in 2-Propanol and Water Oxidation Catalysis with Single Laser Pulse Resolution. J. Phys. Chem. C, 2022, 126, 15144-15155. DOI: 10.1021/acs.jpcc.2c01753.