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Welcome to the website of the Center for Sustainable Systems Design!

 

The CSSD was founded by Prof. Dr. Thomas D. Kühne and Prof. Dr. Matthias Bauer in 2019 and concentrates interdisciplinary basic research in the field of sustainability at Paderborn University. The complementary scientific orientation of the participating groups from experiment/application and theory/simulation is the nucelus for new approaches in the development of sustainable systems. The CSSD will lead to innovative contributions to the sustainable use of resources and society. Our latest publications you can find below. 

Publikationen

2020

Charge transfer dynamics in base metal dyads by ultrafast two-colour X-ray emission spectroscopy
M. Nowakowski, M. Huber, J. Steube, D. Khakhulin, A. Kalinko, F. A. Lima, A. Rodriguez-Fernandez, T. K. Choi, K. Kubicek, P. Zalden, M. Biednov, A. Kertmen, N. Pierunek, J. Kubicki,  C. Bressler, W. Gawełda, M. Bauer*,
submitted.

Planar Iron Hydride Nanoclusters: A Combined Spectrsocopic and Theoretical Insight into Structures and Building Princples
U. Chakraborty, P. Bügel, L. Fritsch, F. Weigend*, M. Bauer*, A. Jacobi von Wangelin*,
submitted.

Electronic structure of an electrocatalyst for hydrogen evolving reactions
M. Winkler, M. Schnierle, F. Ehrlich, K.-I. Mehnert, D. Hunger, A. M. Sheveleva, L. Burkhardt, M. Bauer, F. Tuna, M. R. Ringenberg*, J. van Slageren*
submitted.

Two-color luminescence of a Cyclometalated Iron(III) complex
J. Steube, A. Päpcke, O. Bokareva, T. Reuter, S. Demeshko, R. Schoch, F. Meyer, K. Heinze, O. Kühn, S. Lochbrunner, M. Bauer,
submitted. (Preprint: DOI 10.21203/rs.3.rs-64316/v1)

Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach
M. Benedikter, J. Musso, M. Kesharvani, K. Sterz, I. Elser, F. Ziegler, F. Fischer, B. Plietker, W. Frey, J. Kästner, M. Winkler, J. van Slageren, M. Nowakowski, M. Bauer, M. Buchmeiser*,
submitted.

Ground- and Excited State Properties of Iron(II) Complexes Linked to Organic Chromophores
P. Dierks, A. Päpcke, B. Altenburger, O.S. Bokareva, T. Reuter, K. Heinze, O. Kühn, S. Lochbrunner, M. Bauer*
Inorg. Chem., 2020, 59, 20, 14746-14761.

Intersystem Crossing and Triplet Dynamics in an Fe(II) N-Heterocyclic Carbene Photosensitizer
J.P. Zobel, O. S. Bokareva, P. Zimmer, C. Wölper, M. Bauer, L. González*
Inorg. Chem., 2020, 59, 20, 14666-14678.

Stereoselective Chromium-Catalyzed Semi-Hydrogenation of Alkynes,
B. J. Gregori, M. Nowakowski, A. Schoch, S. Pöllath, J. Zweck, M. Bauer, A. Jacobi von Wangelin*
Chem. Cat. Chem., 2020, 12, 1-6.

Electrochemical reduction and oxidation of Ruddlesden-Popper type La2NiO3F2 within Fluoride-Ion Batteries
K. Wissel, R. Schoch, T. Vogel, M. Donzelli, G. Matveeva, U. Kolb, M. Bauer, P.R. Slater, O. Clemens*
Chem. Mater., submitted.

Experimental and Theoretical Study on the Role of Monomeric vs. Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions
M. Kirchhof, K. Gugeler, F.R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D.P. Estes, T. Sottmann,* M. R. Ringenberg,* B. Plietker,* M. Bauer,* J. Kästner,* S. Laschat*
Organometallics 2020, 39, 17, 3131-3145.

Implications of alkali metal cations on the performance of Ni-Fe oxygen evolution electrocatalysts explained by the electrolyte pH as principal activity descriptor
M. Görlin, O. Diaz-Morales, S. Koroidov, J. Halldin Stenlid, H.-Y. Wang, M. Börner, M. Shipilin, A. Kalinko, V. Murzin, O.V. Safonova, M. Nachtegaal, A. Uheida, J. Dutta, M, Bauer, A. Nilsson*
submitted.

Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction
J. Gujt, P. Zimmer, F. Zysk, V. Süß, C. Felser, M. Bauer*, T.D. Kühne*
Struct. Dyn., 2020, 7, 034101-1 - 034101-6.

Hard X-ray-based tech-niques for struc-tural investiga-tions of CO2 methanation catalysts pre-pared by MOF decomposition
N. Prinz, L. Schwensow, S. Wendholt, A. Jentys, Matthias Bauer*, W. Kleist*, M. Zobel*
Nanoscale, 2020,12, 15800-15813.

When Donors turn into Acceptors: Ground and excited state properties of Fe(II) complexes with amine-substituted tridentate bis-imidazol-2-ylidene pyridin ligands
Y. Vukadinovic, L. Burkhardt, A. Päpcke, A. Miletic, L. Fritsch, B. Altenburger, R. Schoch, A. Neuba, S. Lochbrunner, M. Bauer*
Inorg. Chem., 2020, 59, 13, 8762–8774.

An all-solid-state fluoride ion battery using La2NiO4+d as a high voltage cathode material with ultra-high cycle life
M.A. Nowroozi, K. Wissel, M. Donzelli, N. Hosseinpourkahvaz, S. Plana-Ruiz, U. Kolb, R. Schoch, M. Bauer, A.M. Malik, J. Rohrer, S. Ivlev, F. Kraus, O. Clemens*
Commun Mater 1, 27 (2020).

Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum
M. Naumova, A. Kalinko, J. Wong, S.L. Gutierrez Alvarez, J. Meng, M. Liang, M. Abdellah, H. Geng, W. Lin, K. Kubicek, M. Biednov, F. Lima, A. Galler, P. Zalden, S. Checchia, P.-A. Mante, J. Zimara, D. Schwarzer, S. Demeshko, V. Murzin, D. Gosztola, M. Jarenmark, J. Zhang, M. Bauer, L.M. Lawson Daku, D. Khakhulin, W. Gawelda, C. Bressler, F. Meyer, K. Zheng, S. Canton *
J. Chem. Phys., 2020, 152, 214301.

Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]- Revisited by X-ray Emission and Absorption Spectroscopy
L. Burkhardt, Y. Vukadinovic, M. Nowakowski, A. Kalinko, J. Rudolph, P.-A. Carlsson, C. R. Jacob, M. Bauer*
Inorg. Chem. 2020, 59, 6, 3551-3561.

Revealing Hot and Long-Lived Metastable Spin States in the Photoinduced Switching of Solvated Metallogrid Complexes with Femtosecond Optical and X-ray Spectroscopies
M. Naumova, A. Kalinko, J.W.L. Wong, M. Abdellah, H. Geng, E. Domenichini, J. Meng, S.A. Gutierez, P.-A. Mante, W. Lin, P. Zalden, A. Galler, F. Lima, K. Kubicek, M. Biednov, A. Britz, S. Checchia, V. Kabanova, M. Wulff, J. Zimara, D. Schwarzer, S. Demeshko, V. Murzin, D. Gosztola, M. Jarenmark, J. Zhang, M. Bauer, M.L.L. Daku, W. Gawelda, D. Khakhulin, C. Bressler, F. Meyer, K. Zheng, S.E. Canton*
J. Phys. Chem. Lett. 2020, 11, 6, 2133-2141.

Impact of Al activators on structure and catalytic performance of Cr catalysts in homogeneous ethylene oligomerization - A multitechnique in situ/operando study
R. Grauke, R. Schepper, J. Rabeah, R. Schoch, U. Bentrup, M. Bauer*, A. Brückner*
Chem. Cat. Chem., 2020, 12, 1025-1035.

A von Hamos-type hard X-ray spectrometer at the Petra III beamline P64
A. Kalinko*, W. Caliebe, R. Schoch, M. Bauer
J. Synchrotron Rad., 2020, 27, 31-36.

 

2019

Stereoselective Alkyne Hydrogenation by a Simple Iron Catalyst
B. J. Gregori, F. Schwarzhuber, S. Pöllath, J. Zweck, L. Fritsch, R. Schoch, M. Bauer*, A. Jacobi von Wangelin*
Chem. Sus. Chem., 2019, accepted (DOI: 10.1002/cssc.201900926

Hard X-ray spectroscopy: An exhaustive toolbox for mechanistic studies (?)
A. Schoch, L. Burkhardt, R. Schoch, K. Stührenberg, M.Bauer*
Faraday Discuss., 2019, accepted (DOI: 10.1039/C9FD00070D

Excited state kinetics of an air-stable cyclometalated iron(II) complex
J. Steube, L. Burkhardt, A. Päpcke, J. Moll, P. Zimmer, R. Schoch, C. Wölper, K. Heinze, S. Lochbrunner, M.Bauer*
Chem. Eur. J., 2019, accepted (DOI: 10.1002/chem.201902488

Improving Selectivity and Activity of CO2 Reduction Photocatalysts with Oxygen
S. Kreft, R. Schoch, J. Schneidewind, J. Rabeah, E.V. Kondratenko, V.A. Kondratenko, H. Junge, M. Bauer, S. Wohlrab, M. Beller*
Chem, 2019, 5, 1818-1833.

Cover: The Bonding Situation in the Dinuclear Tetra-Hydrido Complex [{5CpFe}2(μ-H)4] Revisited by Hard X-Ray Spectroscopy
L. Burkhardt, C. Müller, O. A. Groß, Y. Sun, H. Sitzmann, M. Bauer*
Inorg. Chem., 2019, 58, 10, 6609-6618. 

Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes
P. Müller, A. Neuba, U. Flörke, G. Henkel, T. D. Kühne, M. Bauer*
J. Phys. Chem A, 2019, 123, 3575-3581.

Gold(II) in Redox-Switchable Gold(I) Catalysis
P. Veit, C. Volkert, C. Förster, V. Ksenofontov, M. Bauer, K. Heinze*
Chem. Comm., 2019, 55, 4615-4618.

Gold(II) Porphyrins in Photoinduced Electron Transfer Reactions
S. Preiß, A. Päpcke, L. Burkhardt, L. Großmann, S. Lochbrunner, M. Bauer, T. Opatz, K. Heinze*
Chem. Eur. J., 2019, 25, 5940-5949.

Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes
P. Müller, K. Karhan, M. Krack, U. Gerstmann, W. G. Schmidt, M. Bauer, T. D. Kühne*
J. Comput. Chem., 2019, 40, 712-716

 

Experiment und Application

Prof. Dr. Matthias M. Bauer

 

Experiment und Application

Jun.-Prof. Dr. Hans-Georg Steinrück

 

Theory and Simulation

Prof. Dr. Thomas D. Kühne

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