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. DOI: 10.1021/acs.jpca.4c00688.
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. In press.
Tüysüz H.: Alkaline water electrolysis for green hydrogen production. Acc. Chem. Res. 2024, 57, 558-567. DOI: 10.1021/acs.accounts.3c00709.
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.
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.: 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.: 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.
Füngerlings A., Wohlgemuth M., Antipin D., van der Minne E., Kiens E. M., Villalobos J., Risch M., Gunkel F., Pentcheva R., Baeumer C.: Crystal-facet-dependent surface transformation dictates the oxygen evolution reaction activity in lanthanum nickelate. Nat. Commun. 2023, 14, 8284. DOI: 10.1038/s41467-023-43901-z.
Geiss J., Büker J., Schulte J., Peng B., Muhler M., Winterer M.: LaCo1–xFexO3 Nanoparticles in Cyclohexene Oxidation. J. Phys. Chem. C, 2023, 127, 5029-5038. DOI: 10.1021/acs.jpcc.2c08644.
Gunnarson A., Quast T., Dieckhöfer S., Pfänder N., Schüth F., Schuhmann W.: Stability of a Pt@HGS catalyst as a model material for fuel cell applications: The role of the local pH value. Angew. Chem. Int. Ed. 2023, 62, e202311780. DOI: 10.1002/anie.202311780.
Khairani I. Y., Lin Q., Landers J., Salamon S., Doñate-Buendía C., Karapetrova E., Wende H., Zangari G., Gökce B.: Solvent Influence on the Magnetization and Phase of Fe-Ni Alloy Nanoparticles Generated by Laser Ablation in Liquids. J. Nanomater. 2023, 13, 227. DOI: 10.3390/nano13020227.
Klein J., Kampermann L., Mockenhaupt B., Behrens M., Strunk J., Bacher G.: Limitations of the Tauc Plot Method. Adv. Funct. Mater. 2023, 33, 2304523. DOI: 10.1002/adfm.202304523.
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. , Angona J., Krishnan A.B., Corva M., Hosseini P., Heidelmann M., Hagemann U., Tetteh E.B., Schuhmann W., Tschulik K., Li T.: Linking Composition, Structure and Thickness of CoOOH layers to Oxygen Evolution Reaction Activity by Correlative Microscopy. Angew. Chem., Int. Ed. 2023, 62, e202305982. DOI: 10.1002/anie.202305982.
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.
Mackert V., Winter T., Jackson S., Kalia R., Levish A., Lukic S., Geiss J., Winterer M.: Very Small Nanocrystalline Tin Dioxide Particles: Local-, Crystal-, and Micro-Structure. Phys. Chem. C, 2023, 127, 17389-17405. DOI: 10.1021/acs.jpcc.3c02110.
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.
Piotrowiak T. H., Zehl R., Suhr E., Banko L., Kohnen B., Rogalla D., Ludwig A.: Unusual Phase Formation in Reactively Sputter-Deposited La—Co—O Thin-Film Libraries. Adv. Eng. Mater. 2023, 25 2201050. DOI: 10.1002/adem.202201050.
Piotrowiak T. H., Zehl R., Suhr E., Kohnen B., Banko L., Ludwig A.: Combinatorial Sputter Synthesis of Single-Phase La(XYZ)O3 ± σ Perovskite Thin-Film Libraries: A New Platform for Materials Discovery. Adv. Eng. Mater. 2023, 25, 2300437. DOI: 10.1002/adem.202300437.
Rabe A., Jaugstetter M., Hiege F., Cosanne N., Ortega K. F., Linnemann J., Tschulik K., Behrens M.: Tailoring Pore Size and Catalytic Activity in Cobalt Iron Layered Double Hydroxides and Spinels by Microemulsion-Assisted pH-Controlled Co-Precipitation. ChemSusChem, 2023, 16, e202202015. DOI: 10.1002/cssc.202202015.
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.
Santana Santos C., Nsolebna Jaato B., Sanjuán I., Schuhmann W., Andronescu C.: Operando scanning electrochemical probe microscopy during electrocatalysis. Chem. Rev., 2023, 123, 4972-5019. DOI: 10.1021/acs.chemrev.2c00766.
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.
Tahir S., Landers J., Salamon S., Koch D., Doñate-Buendía C., Ziefuß A. R., Wende H., Gökce B.: Development of Magnetocaloric Microstructures from Equiatomic Iron–Rhodium Nanoparticles through Laser Sintering. Adv. Eng. Mater. 2023, 25, 2300245. DOI: 10.1002/adem.202300245.
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.
Timoshenko J., Haase F. T., Saddeler S., Rüscher M., Jeon H. S., Herzog A., Hejral U., Bergmann A., Schulz S., Roldan Cuenya B.: Deciphering the Structural and Chemical Transformations of Oxide Catalysts during Oxygen Evolution Reaction Using Quick X-ray Absorption Spectroscopy and Machine Learning. J. Am. Chem. Soc. 2023, 145, 4065-4080. DOI: 10.1021/jacs.2c11824.
Varhade S., Meloni G., Tetteh E. B., Kim M., Schumacher S., Quast T., Andronescu C., Unwin P., Schuhmann W.: Elucidation of alkaline electrolyte-surface interaction in SECCM using a pH-independent redox probe. Electrochim. Acta, 2023, 460, 142548. DOI: 10.1016/j.electacta.2023.142548
Varhade S., Tetteh E. B., Saddeler S., Schumacher S., Aiyappa H. B., Bendt G., Schulz S., Andronescu C., Schuhmann W.: Crystal plane-related oxygen evolution activity of single hexagonal Co3O4 spinel particles. Chem. Eur. J. 2023, 29, e202203474. DOI: 10.1002/chem.202203474.
Yang F., Lopez Luna M., Haase F. T., Escalera-López D., Yoon A., Rüscher M., Rettenmaier C., Jeon H. S., Ortega E., Timoshenko J., Bergmann A., Chee S. W., Roldan Cuenya B.: Spatially and Chemically Resolved Visualization of Fe Incorporation into NiO Octahedra during the Oxygen Evolution Reaction. J. Am. Chem. Soc. 2023, 145, 21465-21474. DOI: 10.1021/jacs.3c07158.
Zahn D., Landers J., Diegel M., Salamon S., Stihl A., Schacher F. H., Wende H., Dellith J., Dutz S.: Optimization of Magnetic Cobalt Ferrite Nanoparticles for Magnetic Heating Applications in Biomedical Technology. Nanomater. 2023, 13, 1673. DOI: 10.3390/nano13101673.
Zerdoumi R., Savan A., Amalraj M., Tetteh E. B., Lourens F., Krysiak O. A., Junqueira J. R. C., Ludwig A., Schuhmann W.: Combinatorial screening of electronic and geometric effects in compositionally complex solid solutions towards a rational design of electrocatalysts. Adv. Energy Mater. 2023, 13, 2302177. DOI: 10.1002/aenm.202302177.
Budiyanto E., Tüysüz H.: Cobalt oxide nanowires with controllable diameter and crystal structures for the oxygen evolution reaction. Eur. J. Inorg. Chem. 2022, 18, e202200065. DOI: 10.1002/ejic.202200065.
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.
Liu Z., Amin H. M. A., Peng Y., Corva M., Pentcheva R., Tschulik K.: Facet-Dependent Intrinsic Activity of Single Co3O4 Nanoparticles for Oxygen Evolution Reaction. Adv. Funct. Mater. 2023, 33, 2210945. DOI: 10.1002/adfm.202210945.
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.
Yu M., Budiyanto E., Tüysüz H.: Principle of water electrolysis and recent progress of nickel, cobalt and iron-based oxides for oxygen evolution reaction. Angew. Chem. Int. Ed. 2022, 61, e202103824. DOI: 10.1002/anie.202103824.
Yu M., Weidenthaler C., Wang Y., Budiyanto E., Şahin E. O., Chen M., DeBeer S., Ruediger O., Tüysüz H.: Surface boron modulation on cobalt oxide nanocrystals for electrochemical oxygen evolution reaction. Angew. Chem. Int. Ed. 2022, 61, e202211543. DOI: 10.1002/anie.202211543.