Publications

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2019

Alfarano, S. R.; Vondracek, H.; Sebastiani, F.; Novelli, F.; Hoberg, C.; Kolling, I.; Brubach; Jean-Blaise; Roy, P.; Schwaab, G.; Havenith, M., Does hydrated glycine act as solidification nucleus at multi-kilobar conditions? Biophys. Chem. 2019, 253, https://doi.org/10.1002/celc.201900722.

Behnken, J.; Yu, M.; Deng, X.; Tüysüz, H.; Harms, C.; Dyck, A.; Wittstock, G., Oxygen reduction reaction activity of mesostructured cobalt-based metal oxides studied with the Cavity-Microelectrode Technique. ChemElectroChem 2019, 6, 3460-3467, https://doi.org/10.1002/celc.201900722.

Daun, K. J.; Menser, J.; Asif, M.; Musikhin, S.; Dreier, T.; Schulz, C., Evalution of Drude parameters for liquid Germanium nanoparticles through aerosol-based line-of-sight attenuation measurements. J. Quant. Spectrosc. Radiat. Transf. 2019, 226, 146-156, https://doi.org/10.1016/j.jqsrt.2019.01.021.

DeRosha, D. E.; Chilkuri, V. G.; van Stappen, C.; Bill, E.; Mercado, B. Q.; DeBeer, S.; Neese, F.; Holland, P. L., Planar three-coordinate iron sulfide in a synthetic [4Fe-3S] cluster with biomimetic reactivity. Nat. Chem. 2019, 11, 1019-1025, https://doi.org/10.1038/s41557-019-0341-7.

Dzialkowski, K.; Gehlhaar, C.; Wölper, C.; Auer, A.; Schulz, S., Structure and reactivity of 1,8-Bis(naphthalenedityl)dipnictanes. Organometallics 2019, 38, 2927-2942, https://doi.org/10.1021/acs.organomet.9b00269.

Gehrke, S.; Macchieraldo, R.; Kirchner, B., Understanding the fluidity of condensed phase systems in terms of voids - novel algorithm, implementation and application. Phys. Chem. Chem. Phys. 2019, 21, 4988-4997, https://doi.org/10.1039/C8CP07120A.

Gehrke, S.; Reckien, W.; Palazzo, I.; Welton, T.; Holloczki, O., On the carbene-like reactions of imidazolium acetate ionic liquids. Can theory and experiments agree? Eur. J. Org. Chem. 2019, 2019, 504-511, https://doi.org/10.1002/ejoc.201801050.

Guo, P.; Fu, Q.; Yildiz, C.; Chen, Y.-T.; Ollegott, K.; Froese, C.; Kleist, W.; Fischer, R. A.; Wang, Y.; Muhler, M.; Peng, B., Regulating the size and spatial distribution of Pd nanoparticles supported by the defect engineered metal–organic framework HKUST-1 and applied in the aerobic oxidation of cinnamyl alcohol. Catal. Sci. Technol. 2019, 9, 3703-3710, https://doi.org/10.1039/C9CY00560A.

Joshi, H.; Schmidt, W.; Schüth, F., Encapsulation of sub-micrometer sized zeolites by porous silica – towards a rational design strategy for functional yolk-shells. Microp. Mesopor. Mat., 2019, 282, 1–8, https://doi.org/10.1016/j.micromeso.2019.03.013.

Kowalska, J.; Henthorn, J.; van Stappen, C.; Trncik, C.; Einsle, O.; Keavney, D.; DeBeer, S., X-ray magnetic circular dichroism spectroscopy applied to nitrogenase and related models: experimental evidence for a spin-coupled Mo(III). Angew. Chem., Int. Ed. 2019, 58, 9373-9377, https://doi.org/10.1002/anie.201901899. German Edition: Angew. Chem. 2019, 131, 9473-9411, https://doi.org/10.1002/ange.201901899.

Krüger, J.; Wölper, C.; John, L.; Song, L.; Schreiner, P. R.; Schulz, S., Syntheses, structures, and bonding analyses of carbene-stabilized stibinidenes. Eur. J. Inorg. Chem. 2019, 2019, 1669-1678, https://doi.org/10.1002/ejic.201900167.

Li, G.; Xu, Q.; Shi, W.; Fu, C.; Jiao, L.; Kamminga, M. E.; Yu, M.; Tüysüz, H.; Kumar, N.; Süß, V.; Saha, R.; Srivastava, A. K.; Wirth, S.; Auffermann, G.; Gooth, J.; Parkin, S.; Sun, Y.; Liu, E.; Felser, C., Surface states in bulk single crystal of topological semimetal Co3Sn2S2 toward water oxidation. Science Advances 2019, 5, eaaw9867, 10.1126/sciadv.aaw9867.

Losch, P.; Joshi, H.; Stegmann, N.; Vozniuk, O.; Schmidt, W., Studying proton mobility in zeolites by varying temperature infrared spectroscopy, Molecules 2019, 24, 3199, https://doi.org/10.3390/molecules24173199.

Macchieraldo, R.; Gehrke, S.; Batchu, N. K.; Kirchner, B.; Binnemans, K., Tuning solvent miscibility: a fundamental assessment on the example of induced methanol/n-dodecane phase separation. J Phys Chem B 2019, 123, 4400-4407, https://doi.org/10.1021/acs.jpcb.9b00839.

Moon, G.-h.; Yu, M.; Chan, C. K.; Tüysüz, H., Highly active cobalt-based electrocatalysts with facile incorporation of dopants for oxygen evolution reaction. Angew. Chem., Int. Ed. 2019, 58, 3491-3495, https://doi.org/10.1002/anie.201813052. German Edition: Angew. Chem. 2019, 131, 3529-3533, https://doi.org/10.1002/ange.201813052.

Öhl, D.; Franzen, D.; Paulisch, M.; Dieckhöfer, S.; Barwe, S.; Andronescu, C.; Manke, I.; Turek, T.; Schuhmann, W., Catalytic reactivation of industrial oxygen depolarized cathodes by in situ generation of atomic hydrogen. ChemSusChem 2019, 12, 2732-2739, doi.org/10.1002/cssc.201900628.

Ray, P.; Elfgen, R.; Kirchner, B., Cation influence on heterocyclic ammonium ionic liquids: a molecular dynamics study, Phys. Chem. Chem. Phys. 2019, 21, 4472-4486, https://doi.org/10.1039/C8CP07683A.

Schoening, J.; John, L.; Wölper, C.; Schulz, S., Synthesis and structure of gallaarsenes LGaAsGa(X)L featuring a Ga–As double bond. Dalton Trans. 2019, 48, 17729-17734, https://doi.org/10.1039/C9DT03998H.

Spanos, I.; Tesch, M. F.; Yu, M.; Tüysüz, H.; Zhang, J.; Feng, X.; Müllen, K.; Schlögl, R.; Mechler, A. K., A facile protocol for alkaline electrolyte purification and its influence on a Ni-Co oxide catalyst for the oxygen evolution reaction, ACS Catal. 2019, 9, 8165-8170, https://doi.org/10.1021/jacs.9b05353.

Speelman, A. L.; Čorić, I.; van Stappen, C.; DeBeer, S.; Mercado, B. Q.; Holland, P. L., Nitrogenase-relevant reactivity of a synthetic iron–sulfur–carbon site, J. Am. Chem. Soc., 2019, 141, 13148-13157, https://doi.org/10.1021/jacs.9b05353.

Ulpe, A.C.; Bauerfeind, K. C. L.; Bredow, T., Influence of spin state and cation distribution on stability and electronic properties of ternary transition-metal oxides, ACS Omega, 2019. 4, 4138-4146, https://doi.org/10.1021/acsomega.8b03254.

Van Stappen, C.; Davydov, R.; Yang, Z.-Y.; Fan, R.; Guo, Y.; Bill, E.; Seefeldt, L. C.; Hoffman, B. M.; DeBeer, S., Spectroscopic description of the E1 state of Mo nitrogenase based on Mo and Fe X-ray absorption and Mössbauer studies, Inorg. Chem., 2019, 58, 12365-12376,  https://doi.org/10.1021/acs.inorgchem.9b01951.

Van Stappen, C.; Thorhallsson, A. T.; Decamps, L.; Bjornsson, R.; DeBeer, S., Resolving the structure of the E1 state of Mo nitrogenase through Mo and Fe K-edge EXAFS and QM/MM calculations. Chem. Sci. 2019,10, 9807-9821, https://doi.org/10.1039/C9SC02187F.

Vondracek, H.; Alfarano, S.; Hoberg, C.; Kolling, I.; Novelli, F.; Sebastiani, F.; Brubach, J.-B.; Roy, P.; Schwaab, G.; Havenith, M., Urea's match in the hydrogen-bond network? A high pressure THz study. Biophys. Chem. 2019, 254, 106240, https://doi.org/10.1016/j.bpc.2019.106240 .

Yu, M.; Belthle, K. S.; Tüysüz, C.; Tüysüz, H., Selective acid leaching: a simple way to engineer cobalt oxide nanostructures for the electrochemical oxygen evolution reaction, J. Mater. Chem. A, 2019, 7, 23130-23139, https://doi.org/10.1039/C9TA07835E.

Yu, M.; Moon, G.-h.; Bill, E.; Tüysüz, H., Optimizing Ni-Fe oxide electrocatalysts for oxygen evolution reaction by using hard templating as a toolbox. ACS Appl. Energ. Mater. 2019, 2, 1199-1209, https://doi.org/10.1021/acsaem.8b01769.

Zhao, G.; Busser, G. W.; Froese, C.; Hu, B.; Bonke, S. A.; Schnegg, A.; Ai, Y.; Wei, D.; Wang, X.; Peng, B.; Muhler, M., Anaerobic alcohol conversion to carbonyl compounds over nanoscaled Rh-doped SrTiO3 under visible light. J. Phys. Chem. Lett. 2019, 10, 2075-2080, https://doi.org/10.1021/acs.jpclett.9b00621.

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