Alumni
2022
Hanna Cramer
Group: Prof. Walter Leitner, Molecular Catalysis, Max Planck Institute for Chemical Energy Conversion
Title of Thesis: Rational Design of Transition Metal Complexes for the Catalytic Reduction of Carbon Dioxide: A Synthetic, Spectroscopic, and Computational Approach (MPI CEC)
Publications
Cramer, H. H.; Das, S.; Wodrich, M. D.; Corminboeuf, C.; Werle, C.; Leitner, W., Theory-guided development of homogeneous catalysts for the reduction of CO2 to formate, formaldehyde, and methanol derivatives. Chem. Sci. 2023, 14, 2799-2807, https://doi.org/10.1039/d2sc06793e.
Chugh, V.; Chatterjee, B.; Chang, W. C.; Cramer, H. H.; Hindemith, C.; Randel, H.; Weyhermüller, T.; Fares, C.; Werlé, C., An adaptive rhodium catalyst to control the hydrogenation network of nitroarenes. Angew. Chem., Int. Ed. 2022, 61, e202205515, https://doi.org/10.1002/anie.202205515. German Edition: Ein adaptiver Rhodiumkatalysator zur Steuerung des Hydrierungsnetzwerks von Nitroarenen, 2022, 134, e202205515, https://doi.org/10.1002/ange.202205515.
Cramer, H. H.; Ye, S.; Neese, F.; Werlé, C.; Leitner, W., Cobalt-catalyzed hydrosilylation of carbon dioxide to the formic acid, formaldehyde, and methanol level - How to control the catalytic network? JACS Au 2021, 1, 2058-2069, https://doi.org/10.1021/jacsau.1c00350.
Cramer, H. H.; Chatterjee, B.; Weyhermüller, T.; Werlé, C.; Leitner, W., Controlling the product platform of carbon dioxide reduction: adaptive catalytic hydrosilylation of CO2 using a molecular cobalt(II) triazine complex. Angew. Chem., Int. Ed. 2020, 59, 15674 –15681, https://doi.org/10.1002/anie.202004463. German Edition: Angew. Chem. 2020, 132, 15804-15811, https://doi:10.1002/ange.202004463.
Stefan Dieckhöfer
Group: Prof. Wolfgang Schuhmann, Chair of Analytical Chemistry, Ruhr-Universität Bochum
Title of Thesis: Insights Into the Confined Pore Environment of Three-dimensional Electrodes – Operando SECM Studies on CO2-reduction Gas Diffusion Electrodes (RUB)
Publications
Dieckhöfer, S.; Medina, D.; Ruff, A.; Conzuelo, F.; Schuhmann, W., Pseudocapacitive redox polymers as battery materials: a proof-of-concept all-polymer aqueous battery. ChemElectroChem 2021, 8, 2308-2314, https://doi.org/10.1002/celc.202100450
Dieckhöfer, S.; Öhl, D.; Junqueira, J. R. C.; Quast, T.; Turek, T.; Schuhmann, W., Probing the local reaction environment during high turnover carbon dioxide reduction with Ag-based gas diffusion electrodes. Chem. Eur. J. 2021, 27, 5906-5912, https://doi.org/10.1002/chem.202100387.
Möller, S.; Barwe, S.; Dieckhöfer, S.; Masa, J.; Andronescu, C.; Schuhmann, W., Differentiation between carbon corrosion and oxygen evolution catalyzed by NixB/C hybrid electrocatalysts in alkaline solution using differential electrochemical mass spectrometry. ChemElectroChem 2020, 7, 2680-2686, 10.1002/celc.202000697.
Wilde, P.; Dieckhöfer, S.; Quast, T.; Xiang, W.; Bhatt, A.; Chen, Y.-T.; Seisel, S.; Barwe, S.; Andronescu, C.; Li, T.; Schuhmann, W.; Masa, J., Insights into the formation, chemical stability and activity of transient NiyP@NiOx core-shell heterostructures for the oxygen evolution reaction. ACS Appl. Energy Mat. 2020, 3, 2304-2309, https://doi.org/10.1021/acsaem.9b02481.
Kazakova, M. A.; Morales, D. M.; Andronescu, C.; Elumeeva, K.; Selyutin, A. G.; Ishchenko, A. V.; Golubtsov, G. V.; Dieckhöfer, S.; Schuhmann, W.; Masa, J., Fe/Co/Ni mixed oxide nanoparticles supported on oxidized multi-walled carbon nanotubes as electrocatalysts for the oxygen reduction and the oxygen evolution reactions in alkaline media. Catal. Today, 2020, 357, 259-268, https://doi.org/10.1016/j.cattod.2019.02.047.
Morales, D. M.; Kazakova, M. A.; Dieckhöfer, S.; Selyutin, A. G.; Golubtsov, G. V.; Schuhmann, W.; Masa, J., Trimetallic Mn-Fe-Ni oxide nanoparticles supported on multi-walled carbon nanotubes as high-performance bifunctional ORR/OER electrocatalyst in alkaline media. Adv. Funct. Mater. 2020, 30, 1905992, https://doi.org/10.1002/adfm.201905992.
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.
Barwe, S.; Weidner, J.; Cychy, S.; Morales, D. M.; Dieckhöfer, S.; Hiltrop, D.; Masa, J.; Muhler, M.; Schuhmann, W., Electrocatalytic oxidation of 5-(Hydroxymethyl)furfural using high-surface-area nickel boride. Angew. Chem., Int. Ed. 2018, 57, 11460-11464, https://doi.org/10.1002/anie.201806298. German Edition: Angew. Chem. 2018, 130, 11631-11636, https://doi.org/10.1002/ange.201806298.
Julia Krüger
Group: Prof. Stephan Schulz, Faculty of Inorganic Chemistry, Universität Duisburg-Essen
Title of Thesis: Ga-Substituted Pnictinidenes and Gallapnictenes: Suitable Synthons for Various Open-Shell and Closed-Shell Species
(Universität Duisburg-Essen)
Publications
Krüger, J.; Haak, J.; Wölper, C.; Cutsail, G. E.; Haberhauer, G.; Schulz, S., Single-electron oxidation of carbene-coordinated pnictinidenes–entry into heteroleptic radical cations and metalloid clusters. Inorg. Chem. 2022, 61, 5878-5884, https://doi.org/10.1021/acs.inorgchem.2c00249.
Krüger, J.; Wölper, C.; Auer, A.; Schulz, S., Formation and cleavage of a Sb–Sb double bond: from carbene-coordinated distibenes to stibinidenes. Eur. J. Inorg. Chem. 2022, e202100960, https://doi.org/10.1002/ejic.202100960.
Krüger, J.; Wölper, C.; Schulz, S., From π-bonded gallapnictenes to nucleophilic, redox-active metal-coordinated pnictanides. Angew. Chem., Int. Ed., 2021, 60, 3572-3575, https://doi.org/10.1002/anie.202013618. German Edition: Angew. Chem., 2021, 60, 3615-3618, https://doi.org/10.1002/ange.202013618.
Krüger, J.; Wölper, C.; Schulz, S., Stepwise Bi-Bi bond formation - From a Bi-centered radical to Bi4 butterfly and Bi8 cuneane-type clusters. Inorg. Chem. 2020, 59, 11142-11151, https://doi.org/10.1021/acs.inorgchem.0c01657.
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.
Sarah Salloum
Group: Prof. Stephan Schulz, Faculty of Inorganic Chemistry, Universität Duisburg-Essen
Title of Thesis: Synthesis and Evaluation of Thermoelectric Group 15 Chalcogenide Nanomaterials
(Universität Duisburg-Essen)
Publications
Izadi, S.; Bhattacharya, A.; Salloum, S.; Han, J. W.; Wolff, U.; Schnatmann, L.; Perez, N.; Bendt, G.; Ennen, I.; Hütten, A.; Nielsch, K.; Schulz, S.; Mittendorff, M.; Schierning, G., Density-dependence of surface transport in tellurium-enriched nanograined Bulk Bi2Te3. SMALL, 2204850, in press, https://doi.org/10.1002/smll.202204850.
Izadi, S.; Han, J. W.; Salloum, S.; Wolff, U.; Schnatmann, L.; Asaithambi, A.; Matschy, S.; Schlörb, H.; Reith, H.; Perez, N.; Nielsch, K.; Schulz, S.; Mittendorff, M.; Schierning, G., Interface-dominated topological transport in nanograined bulk Bi2Te3. Small 2021, 17, 2103281, https://doi.org/10.1002/smll.202103281.
Salloum, S.; Bendt, G.; Heidelmann, M.; Loza, K.; Bayesteh, S.; Sepideh Izadi, M.; Kawulok, P.; He, R.; Schlörb, H.; Perez, N.; Reith, H.; Nielsch, K. ; Schierning, G.; Schulz, S., Influence of nanoparticle processing on the thermoelectric properties of (BixSb1−X)2Te3 ternary alloys. ChemOpen 2021, 10, 189-198, https://doi.org/10.1002/open.202000257.
Loor, M.; Salloum, S.; Kawulok, P.; Izadi, S.; Bendt, G.; Guschlbauer, J.; Sundermeyer, J.; Pérez, N.; Nielsch, K.; Schierning, G.; Schulz, S., Ionic liquid-based low-temperature synthesis of phase-pure tetradymite-type materials and their thermoelectric properties. Inorg. Chem. 2020, 59, 3428-3436, https://doi.org/10.1021/acs.inorgchem.9b03060.
Nico Spiller
Group: Prof. Frank Neese, Department of Molecular Theory and Spectroscopy, Max-Planck-Institut für Kohlenforschung
Title of Thesis: Electronic Structure Studies of Iron-Sulfur Clusters: from Model Compounds to the Active Site of Nitrogenase (MPI für Kohlenforschung)
Publications
Atanasov, M.; Spiller, N.; Neese, F., Magnetic exchange and valence delocalization in a mixed valence [Fe2+Fe3+Te2]+ complex: insights from theory and interpretations of magnetic and spectroscopic data. Phys. Chem. Chem. Phys. 2022, 24, 20760-20775, https://doi.org/10.1039/d2cp02975h.
Spiller, N.; Björnsson, R.; DeBeer, S.; Neese, F., Carbon monoxide binding to the iron–molybdenum cofactor of nitrogenase: a detailed quantum mechanics/molecular mechanics investigation. Inorg. Chem. 2021, 60, 18031-18047, https://doi.org/10.1021/acs.inorgchem.1c02649.
Spiller, N.;Chilkuri, V.G.; DeBeer, S.; Neese, F. Sulfur vs. Selenium as bridging ligand in Di‐iron complexes: a theoretical analysis. Eur. J. Inorg. Chem. 2020, 1525-1538, https://doi.org/10.1002/ejic.202000033.
Stanislav Musikhin
Group: Prof. Christof Schulz, Faculty of Engineering, Universität Duisburg-Essen
Title of Thesis: Microwave plasma synthesis of graphene and its laser-optical in situ characterization
Publications
López Cámara, C. F.; Fortugno, P.; Asif, M.; Musikhin, S.; Prindler, C.; Wiggers, H.; Endres, T.; Eaves, N.; Daun, K. J.; Schulz, C., Evolution of particle size and morphology in plasma synthesis of few-layer graphen and soot. Combust. Flame 2023, 112713, https://doi.org/10.1016/j.combustflame.2023.112713, in press.
Musikhin, S.; Fortugno, P.; Endres, T.; Dreier, T.; Daun, K. J.; Schulz, C., Elemental carbon concentration as the main factor in gas-phase graphene synthesis: quantitative Fourier-transform infrared spectroscopy study. Carbon 2023, 202, 47-60, https://doi.org/10.1016/j.carbon.2022.11.024.
Fortugno, P.; Musikhin, S.; Shi, X.; Wang, H.; Wiggers, H.; Schulz, C., Synthesis of freestanding few-layer graphene in microwave plasma: The role of oxygen. Carbon 2022, 186, 560-573, https://doi.org/10.1016/j.carbon.2021.10.047.
Musikhin, S.; Talebi-Moghaddam, S.; Corbin, J.C. ; Smallwood,G.J.; Schulz, C.; Daun, K.J., Crumpled few-layer graphene: connection between morphology and optical properties, Carbon 2021, 182, 677-690, https://doi.org/10.1016/j.carbon.2021.06.052.
Talebi-Moghaddam, S.; Robinson-Enebeli, S.; Musikhin, S.; Clavel, D. J.; Corbin, J. C.; Klinkova, A.; Smallwood, G. J.; Daun, K. J., Multiphoton induced photoluminescence during time-resolved laser-induced incandescence experiments on silver and gold nanoparticles. J. Appl. Phys. 2021, 129, 183107, https://doi.org/10.1063/5.0046702.
Musikhin, S.; Fortugno, P.; Corbin, J. C.; Smallwood, G. J.; Dreier, T.; Daun, K. J.; Schulz, C., Characterization of few-layer graphene aerosols by laser-induced incandescence. Carbon 2020, 167, 870-880, https://doi.org/10.1016/j.carbon.2020.05.052.
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.
David Kuß
Group: Prof. Walter Leitner, Department of Molecular Catalysis, Max-Planck-Institut für Chemische Energiekonversion
Title of Thesis: Catalytic hydrogenation of carbon dioxide with manganese complexes: concept and mechanism
Publications
Kuß, D. A.; Hölscher, M.; Leitner, W., Combined computational and experimental investigation on the mechanism of CO2 hydrogenation to methanol with Mn-PNP-Pincer catalysts. ACS Catal. 2022, 12, 15310-15322, https://doi.org/10.1021/acscatal.2c04806.
Kuß, D.A.; Hölscher, M.; Leitner, W., Hydrogenation of CO2 to methanol with Mn-PNP-Pincer complexes in the presence of Lewis acids: the formate resting state unleashed. ChemCatChem. 2021, 13, 3319-3323. https://doi.org/10.1002/cctc.202100649.
Roman Elfgen
Group: Prof. Barbara Kirchner, Mulliken Center for Theoretical Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn
Title of Thesis: Structure-directing effects in microheterogeneous ionic liquids
Publications
Taherivardanjani, S.; Elfgen, R.; Reckien, W.; Suarez, E.; Perlt, E.; Kirchner, B., Benchmarking the computational costs and quality of vibrational spectra from ab initio simulations. Adv. Theory Simul. 2022, 2100293, https://doi.org/10.1002/adts.202100293.
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.
Macchieraldo, R.; Esser, L.; Elfgen, R.; Voepel, P.; Zahn, S.; Smarsly, B. M.; Kirchner, B., Hydrophilic ionic liquid mixtures of weakly and strongly coordinating anions with and without water. ACS Omega 2018, 3, 8567-8582, https://doi.org/10.1021/acsomega.8b00995.
Elfgen, R.; Holloczki, O.; Kirchner, B., A molecular level understanding of template effects in ionic liquids. Acc. Chem. Res. 2017, 50, 2949-2957, https://doi.org/10.1021/acs.accounts.7b00436.
Elfgen, R.; Hollóczki, O.; Ray, P.; Groh, M. F.; Ruck, M.; Kirchner, B., Theoretical investigation if the Te4Br2 molecule in ionic liquids. Z. Anorg. Allg. Chem. 2016, 643, 41-52, https://doi.org/10.1002/zaac.201600342.
