Publications 2017

Aijaz, A.; Masa, J.; Rösler, C.; Antoni, H.; Fischer, R. A.; Schuhmann, W.; Muhler, M.;
MOF-Templated Assembly Approach for Fe3C Nanoparticles Encapsulated in Bamboo-Like N-Doped CNTs: Highly Efficient Oxygen Reduction under Acidic and Basic Conditions. Chemistry-A European Journal 23 (50 Sp. Iss. SI), 12125-12130 (2017)
Aijaz, A.; Masa, J.; Rösler, C.; Xia, W.; Weide, P.; Fischer, R. A.; Schuhmann, W.; Muhler, M.;
Metal-Organic Framework Derived Carbon Nanotube Grafted Cobalt/Carbon Polyhedra Grown on Nickel Foam: An Efficient 3D Electrode for Full Water Splitting. Chemelectrochem 4 (1), 188-193 (2017)
Andrei, V.; Bethke, K.; Madzharova, F.; Beeg, S.; Knop-Gericke, A.; Kneipp, J.; Rademann, K.;
Size Dependence of Electrical Conductivity and Thermoelectric Enhancements in Spin-Coated PEDOT:PSS Single and Multiple Layers. Advanced Electronic Materials 3 (2), 1600473-1-1600473-8 (2017)
Anke, B.; Rohloff, M.; Willinger, M. G.; Hetaba, W.; Fischer, A.; Lerch, M.;
Improved photoelectrochemical performance of bismuth vanadate by partial O/F-substitution. Solid State Sciences 63, 1-8 (2017)
Auer, A.; Bistoni, G.; Kitschke, P.; Mehring, M.; Ebert, T.; Spange, S.;
Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process. ChemPlusChem 82 (12), 1396-1407 (2017-12)
Bergner, M.; Roy, L.; Dechert, S.; Neese, F.; Ye, S.; Meyer, F.;
Ligand Rearrangements at Fe/S Cofactors: Slow Isomerization of a Biomimetic [2Fe-2S] Cluster. Angewandte Chemie-International Edition 56 (17), 4882-4886 (2017)
Bernard, J.; Köck, E.-M.; Huber, R. G.; Liedl, K. R.; Call, L.; Schlögl, R.; Grothe, H.; Loerting, T.;
Carbonic acid monoethyl ester as a pure solid and its conformational isomerism in the gas-phase. RSC Advances 7 (36), 22222-22233 (2017)
Bistoni, G.; Auer, A. A.; Neese, F.;
Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study. Chemistry-A European Journal 23 (4), 865-873 (2017)
Bistoni, G.; Riplinger, C.; Minenkov, Y.; Cavallo, L.; Auer, A. A.; Neese, F.;
Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach. Journal of Chemical Theory and Computation 13 (7), 3220-3227 (2017)
Bjornsson, R.; Neese, F.; DeBeer, S.;
Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge. Inorganic Chemistry 56 (3), 1470-1477 (2017)
Braslavsky, S. E.; Matysik, J.; Schapiro, I.;
Introduction, Festschrift in honor of Wolfgang Gärtner. Photochemistry and Photobiology 93 (3), 640-641 (2017)
Bukhtiyarova, M.; Lunkenbein, T.; Kähler, K.; Schlögl, R.;
Methanol Synthesis from Industrial CO2 Sources: A Contribution to Chemical Energy Conversion. Catalysis Letters 147 (2), 416-427 (2017)
Buttler, F.;
Electrochemical Hydrogen Storage in Organic Molecules. Universität Duisburg-Essen, Essen.
Caserta, G.; Pecqueur, L.; Adamska-Venkatesh, A.; Papini, C.; Roy, S.; Artero, V.; Atta, M.; Reijerse, E.; Lubitz, W.; Fontecave, M.;
Structural and functional characterization of the hydrogenase-maturation HydF protein. Nature Chemical Biology 13 (7), 779-784 (2017)
Casitas, A.; Rees, J. A.; Goddard, R.; Bill, E.; DeBeer, S.; Fürstner, A.;
Two Exceptional Homoleptic Iron(IV) Tetraalkyl Complexes. Angewandte Chemie-International Edition 56 (34), 10108-10113 (2017)
Chakraborty, U.; Demeshko, S.; Meyer, F.; Rebreyend, C.; de Bruin, B.; Atanasov, M.; Neese, F.; Mühldorf, B.; Wolf, R.;
Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I) Complex with 15 Valence Electrons. Angewandte Chemie-International Edition 56 (27), 7995-7999 (2017)
Chakrapani, K.; Bendt, G.; Hajiyani, H.; Schwarzrock, I.; Lunkenbein, T.; Salamon, S.; Landers, J.; Wende, H.; Schlögl, R.; Pentcheva, R.; Behrens, M.; Schulz, S.;
Role of Composition and Size of Cobalt Ferrite Nanocrystals in the Oxygen Evolution Reaction. ChemCatChem 9 (15), 2988-2995 (2017)
Chang, J. S.; Tan, J. K.; Shah, S. N.; Mateblowski, A.; Strunk, J.; Poh, P. E.; Chong, M. N.;
Morphological tunable three-dimensional flower-like zinc oxides with high photoactivity for targeted environmental Remediation: Degradation of emerging micropollutant and radicals trapping experiments. Journal of the Taiwan Institute of Chemical Engineers 81, 206-217 (2017)
Chilkuri, V. G.; DeBeer, S.; Neese, F.;
Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model. Inorganic Chemistry 56 (17), 10418-10436 (2017)
Choi, C. H.; Choi, W. S.; Kasian, O.; Mechler, A. K.; Sougrati, M. T.; Bruller, S.; Strickland, K.; Jia, Q.; Mukerjee, S.; Mayrhofer, K. J. J.; Jaouen, F.;
Unraveling the Nature of Sites Active toward Hydrogen Peroxide Reduction in Fe-N-C Catalysts. Angewandte Chemie-International Edition 56 (30), 8809-8812 (2017)
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