Prof. Dr. Holger Dau - Publications

2345 Facile Formation of Nanostructured Manganese Oxide Films as High-Performance Catalysts for the Oxygen Evolution Reaction C. Walter, P. W. Menezes, S. Loos, H. Dau, M. Driess ChemSusChem 2018, 11, 2554–2561, 10.1002/cssc.201800493

2342 Geometric distortions in nickel (oxy)hydroxide electrocatalysts by redox inactive iron ions R. D. L. Smith, C. Pasquini, S. Loos, P. Chernev, K. Klingan, P. Kubella, M. R. Mohammadi, D. González-Flores, H. Dau Energy & Environmental Science 2018, 10.1039/c8ee01063c

2339 Kα X-ray Emission Spectroscopy on the Photosynthetic Oxygen-Evolving Complex Supports Manganese Oxidation and Water Binding in the S3State N. Schuth, I. Zaharieva, P. Chernev, G. Berggren, M. Anderlund, S. Styring, H. Dau, M. Haumann Inorganic Chemistry 2018, 57, 10424–10430, 10.1021/acs.inorgchem.8b01674

2335 A structurally versatile nickel phosphite acting as a robust bifunctional electrocatalyst for overall water splitting P. W. Menezes, C. Panda, S. Loos, F. Bunschei-Bruns, C. Walter, M. Schwarze, X. Deng, H. Dau, M. Driess Energy & Environmental Science 2018, 11, 1287–1298, 10.1039/c7ee03619a

2332 Nickel-iron catalysts for electrochemical water oxidation – redox synergism investigated byin situX-ray spectroscopy with millisecond time resolution D. González-Flores, K. Klingan, P. Chernev, S. Loos, M. R. Mohammadi, C. Pasquini, P. Kubella, I. Zaharieva, R. D. L. Smith, H. Dau Sustainable Energy & Fuels 2018, 2, 1986–1994, 10.1039/c8se00114f

2249 Spectroscopic identification of active sites for the oxygen evolution reaction on iron-cobalt oxides R. D. L. Smith, C. Pasquini, S. Loos, P. Chernev, K. Klingan, P. Kubella, M. R. Mohammadi, D. Gonzalez-Flores, H. Dau Nature Communications 2017, 8, 10.1038/s41467-017-01949-8

2248 Ligand binding at the A-cluster in full-length or truncated acetyl-CoA synthase studied by X-ray absorption spectroscopy P. Schrapers, J. Ilina, C. M. Gregg, S. Mebs, J. H. Jeoung, H. Dau, H. Dobbek, M. Haumann PLOS ONE 2017, 12, 10.1371/journal.pone.0171039

2247 Photo-assisted water oxidation by high-nuclearity cobalt-oxo cores: tracing the catalyst fate during oxygen evolution turnover M. Natali, I. Bazzan, S. Goberna-Ferrón, R. Al-Oweini, M. Ibrahim, B. S. Bassil, H. Dau, F. Scandola, J. R. Galán-Mascarós, U. Kortz, A. Sartorel, I. Zaharieva, M. Bonchio Green Chemistry 2017, 19, 2416–2426, 10.1039/c7gc00052a

2246 Tracking Catalyst Redox States and Reaction Dynamics in Ni–Fe Oxyhydroxide Oxygen Evolution Reaction Electrocatalysts: The Role of Catalyst Support and Electrolyte pH M. Görlin, J. Ferreira de Araújo, H. Schmies, D. Bernsmeier, S. Dresp, M. Gliech, Z. Jusys, P. Chernev, R. Kraehnert, H. Dau, P. Strasser Journal of the American Chemical Society 2017, 139, 2070–2082, 10.1021/jacs.6b12250

2186 Structural insights into the light-driven auto-assembly process of the water-oxidizing Mn4CaO5-cluster in photosystem II M. Zhang, M. Bommer, R. Chatterjee, R. Hussein, J. Yano, H. Dau, J. Kern, H. Dobbek, A. Zouni eLife 2017, 6, 10.7554/eLife.26933

2162 Temperature Dependence of the Catalytic Two- versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex I. Monte-Pérez, S. Kundu, A. Chandra, K. E. Craigo, P. Chernev, U. Kuhlmann, H. Dau, P. Hildebrandt, C. Greco, C. Van Stappen, N. Lehnert, K. Ray Journal of the American Chemical Society 2017, 139, 15033–15042, 10.1021/jacs.7b07127

2065 A noble metal-free proton-exchange membrane fuel cell based on bio-inspired molecular catalysts P. D. Tran, A. Morozan, S. Archambault, J. Heidkamp, P. Chenevier, H. Dau, M. Fontecave, A. Martinent, B. Jousselme, V. Artero Chem. Sci. 2015, 6, 2050–2053, 10.1039/C4sc03774j

2064 Structure and Mechanism Leading to Formation of the Cysteine Sulfinate Product Complex of a Biomimetic Cysteine Dioxygenase Model M. Sallmann, S. Kumar, P. Chernev, J. Nehrkorn, A. Schnegg, D. Kumar, H. Dau, C. Limberg, S. P. de Visser Chemistry - A European Journal 2015, 21, 7470–7479, 10.1002/chem.201500644

2063 Water oxidation by amorphous cobalt-based oxides: in situ tracking of redox transitions and mode of catalysis M. Risch, F. Ringleb, M. Kohlhoff, P. Bogdanoff, P. Chernev, I. Zaharieva, H. Dau Energy Environ. Sci. 2015, 8, 661–674, 10.1039/C4ee03004d

2062 Atomistic Texture of Amorphous Manganese Oxides for Electrochemical Water Splitting Revealed by Ab Initio Calculations Combined with X-ray Spectroscopy G. Mattioli, I. Zaharieva, H. Dau, L. Guidoni Journal of the American Chemical Society 2015, 137, 10254–10267, 10.1021/jacs.5b05174

2061 From molecular copper complexes to composite electrocatalytic materials for selective reduction of CO2to formic acid T. N. Huan, E. S. Andreiadis, J. Heidkamp, P. Simon, E. Derat, S. Cobo, G. Royal, A. Bergmann, P. Strasser, H. Dau, V. Artero, M. Fontecave J. Mater. Chem. A 2015, 3, 3901–3907, 10.1039/C4ta07022d

2060 Axial Ligation and Redox Changes at the Cobalt Ion in Cobalamin Bound to Corrinoid Iron-Sulfur Protein (CoFeSP) or in Solution Characterized by XAS and DFT P. Schrapers, S. Mebs, S. Goetzl, S. E. Hennig, H. Dau, H. Dobbek, M. Haumann PLOS ONE 2016, 11, 10.1371/journal.pone.0158681

2059 Electrosynthesis of Biomimetic Manganese-Calcium Oxides for Water Oxidation Catalysis-Atomic Structure and Functionality D. González-Flores, I. Zaharieva, J. Heidkamp, P. Chernev, E. Martínez-Moreno, C. Pasquini, M. R. Mohammadi, K. Klingan, U. Gernet, A. Fischer, H. Dau ChemSusChem 2016, 9, 379–387, 10.1002/cssc.201501399

2058 Water oxidation catalysis – role of redox and structural dynamics in biological photosynthesis and inorganic manganese oxides I. Zaharieva, D. González-Flores, B. Asfari, C. Pasquini, M. R. Mohammadi, K. Klingan, I. Zizak, S. Loos, P. Chernev, H. Dau Energy Environ. Sci. 2016, 9, 2433–2443, 10.1039/C6EE01222A

2009 The Molybdenum Active Site of Formate Dehydrogenase Is Capable of Catalyzing C–H Bond Cleavage and Oxygen Atom Transfer Reactions T. Hartmann, P. Schrapers, T. Utesch, M. Nimtz, Y. Rippers, H. Dau, M. A. Mroginski, M. Haumann, S. Leimkühler Biochemistry 2016, 55, 2381–2389, 10.1021/acs.biochem.6b00002

2003 A cobalt(ii) iminoiodane complex and its scandium adduct: mechanistic promiscuity in hydrogen atom abstraction reactions S. Kundu, P. Chernev, X. Engelmann, C. S. Chung, H. Dau, E. Bill, J. England, W. Nam, K. Ray Dalton Trans. 2016, 45, 14538–14543, 10.1039/c6dt01815g

1978 Oxygen Evolution Reaction Dynamics, Faradaic Charge Efficiency, and the Active Metal Redox States of Ni–Fe Oxide Water Splitting Electrocatalysts M. Görlin, P. Chernev, J. Ferreira de Araújo, T. Reier, S. Dresp, B. Paul, R. Krähnert, H. Dau, P. Strasser Journal of the American Chemical Society 2016, 138, 5603–5614, 10.1021/jacs.6b00332

1945 Uncovering the prominent role of metal ions in octahedral versus tetrahedral sites of cobalt–zinc oxide catalysts for efficient oxidation of water P. W. Menezes, A. Indra, A. Bergmann, P. Chernev, C. Walter, H. Dau, P. Strasser, M. Driess J. Mater. Chem. A 2016, 4, 10014–10022, 10.1039/C6TA03644A

1837 Sulfido and Cysteine Ligation Changes at the Molybdenum Cofactor during Substrate Conversion by Formate Dehydrogenase (FDH) fromRhodobacter capsulatus P. Schrapers, T. Hartmann, R. Kositzki, H. Dau, S. Reschke, C. Schulzke, S. Leimkühler, M. Haumann Inorganic Chemistry 2015, 54, 3260–3271, 10.1021/ic502880y

1720 Heterogeneous Water Oxidation: Surface Activity versus Amorphization Activation in Cobalt Phosphate Catalysts D. González-Flores, I. Sánchez, I. Zaharieva, K. Klingan, J. Heidkamp, P. Chernev, P. W. Menezes, M. Driess, H. Dau, M. L. Montero Angewandte Chemie International Edition 2015, 54, 2472–2476, 10.1002/anie.201409333

1719 High-Performance Oxygen Redox Catalysis with Multifunctional Cobalt Oxide Nanochains: Morphology-Dependent Activity P. W. Menezes, A. Indra, D. González-Flores, N. R. Sahraie, I. Zaharieva, M. Schwarze, P. Strasser, H. Dau, M. Driess ACS Catalysis 2015, 5, 2017–2027, 10.1021/cs501724v

1717 Hydrophobic Nanoreactor Soft-Templating: A Supramolecular Approach to Yolk@Shell Materials A. Guiet, C. Göbel, K. Klingan, M. Lublow, T. Reier, U. Vainio, R. Kraehnert, H. Schlaad, P. Strasser, I. Zaharieva, H. Dau, M. Driess, J. Polte, A. Fischer Advanced Functional Materials 2015, 25, 6228–6240, 10.1002/adfm.201502388

1707 Reversible amorphization and the catalytically active state of crystalline Co3O4 during oxygen evolution A. Bergmann, E. Martinez-Moreno, D. Teschner, P. Chernev, M. Gliech, J. F. de Araújo, T. Reier, H. Dau, P. Strasser Nature Communications 2015, 6, 8625– 10.1038/NCOMMS9625

1601 Water oxidation by manganese oxides formed from tetranuclear precursor complexes: the influence of phosphate on structure and activity D. Shevchenko, M. F. Anderlund, S. Styring, H. Dau, I. Zaharieva, A. Thapper Physical Chemistry Chemical Physics 2014, 16, 11965–11975, 10.1039/C3cp55125c

1600 Biogenic Manganese-Calcium Oxides on the Cell Walls of the Algae : Elemental Composition, Atomic Structure, and Water-Oxidation Catalysis A. Schöler, I. Zaharieva, S. Zimmermann, M. Wiechen, A. M. Manke, P. Kurz, C. Plieth, H. Dau European Journal of Inorganic Chemistry 2014, 2014, 780–790, 10.1002/ejic.201300697

1599 Water oxidation by Co-based oxides with molecular properties M. Risch, K. Klingan, I. Zaharieva, H. Dau Molecular Water Oxidation Catalysts John Wiley & Sons, Ltd, Chichester, UK Wiley-VCH 2014,

1598 Fragments of Layered Manganese Oxide Are the Real Water Oxidation Catalyst after Transformation of Molecular Precursor on Clay M. M. Najafpour, A. N. Moghaddam, H. Dau, I. Zaharieva Journal of the American Chemical Society 2014, 136, 7245–7248, 10.1021/Ja5028716

1597 Screen-Printed Calcium-Birnessite Electrodes for Water Oxidation at Neutral pH and an “Electrochemical Harriman Series” S. Y. Lee, D. González-Flores, J. Ohms, T. Trost, H. Dau, I. Zaharieva, P. Kurz ChemSusChem 2014, 7, 3442–3451, 10.1002/cssc.201402533

1556 Water Oxidation by Amorphous Cobalt-Based Oxides: Volume Activity and Proton Transfer to Electrolyte Bases K. Klingan, F. Ringleb, I. Zaharieva, J. Heidkamp, P. Chernev, D. Gonzalez-Flores, M. Risch, A. Fischer, H. Dau ChemSusChem 2014, 7, 1301–1310, 10.1002/cssc.201301019

1353 A High-Valent Heterobimetallic [Cu(III) (μ-O) Ni(III)]2+ Core with Nucleophilic Oxo Groups S. Kundu, F. F. Pfaff, E. Miceli, I. Zaharieva, C. Herwig, S. Yao, E. R. Farquhar, U. Kuhlmann, E. Bill, P. Hildebrandt, H. Dau, M. Driess, C. Limberg, K. Ray Angewandte Chemie International Edition 2013, 52, 5622–5626, 10.1002/anie.201300861

1352 Active Mixed-Valent MnO Water Oxidation Catalysts through Partial Oxidation (Corrosion) of Nanostructured MnO Particles A. Indra, P. W. Menezes, I. Zaharieva, E. Baktash, J. Pfrommer, M. Schwarze, H. Dau, M. Driess Angewandte Chemie International Edition 2013, 52, 13206–13210, 10.1002/anie.201307543

1351 Artificial photosynthesis as a frontier technology for energy sustainability T. Faunce, S. Styring, M. R. Wasielewski, G. W. Brudvig, A. W. Rutherford, J. Messinger, A. F. Lee, C. L. Hill, H. deGroot, M. Fontecave, D. R. MacFarlane, B. Hankamer, D. G. Nocera, D. M. Tiede, H. Dau, W. Hillier, L. Wang, R. Amal Energy & Environmental Science 2013, 6, 1074– 10.1039/C3ee40534f

1350 Electrochemical water splitting by layered and 3D cross-linked manganese oxides: correlating structural motifs and catalytic activity A. Bergmann, I. Zaharieva, H. Dau, P. Strasser Energy & Environmental Science 2013, 6, 2745–2755, 10.1039/C3ee41194j

1349 Cyanamide route to calcium–manganese oxide foams for water oxidation E. Baktash, I. Zaharieva, M. Schröder, C. Goebel, H. Dau, A. Thomas Dalton Transactions 2013, 42, 16920– 10.1039/c3dt51693h

1280 A High-Valent Heterobimetallic [Cu (μ-O) Ni ] Core with Nucleophilic Oxo Groups S. Kundu, F. F. Pfaff, E. Miceli, I. Zaharieva, C. Herwig, S. Yao, E. R. Farquhar, U. Kuhlmann, E. Bill, P. Hildebrandt, H. Dau, M. Driess, C. Limberg, K. Ray Angewandte Chemie 2013, 125, 5732–5736, 10.1002/ange.201300861

1262 Shining light on integrity of a tetracobalt-polyoxometalate water oxidation catalyst by X-ray spectroscopy before and after catalysis R. Schiwon, K. Klingan, H. Dau, C. Limberg Chemical Communications 2014, 50, 100– 10.1039/C3CC46629A

1227 Protein-Protein Complex Formation Affects the Ni-Fe and Fe-S Centers in the H2-Sensing Regulatory Hydrogenase from Ralstonia eutropha H16 S. Löscher, A. Gebler, M. Stein, O. Sanganas, T. Buhrke, I. Zebger, H. Dau, B. Friedrich, O. Lenz, M. Haumann ChemSusChem 2010, 11, 1297–1306, 10.1002/cphc.200901007

930 Electrosynthesis, functional, and structural characterization of a water-oxidizing manganese oxide I. Zaharieva, P. Chernev, M. Risch, K. Klingan, M. Kohlhoff, A. Fischer, H. Dau Energy & Environmental Science 2012, 5, 7081–7089, 10.1039/c2ee21191b

929 Layered manganese oxides for water-oxidation: alkaline earth cations influence catalytic activity in a photosystem II-like fashion M. Wiechen, I. Zaharieva, H. Dau, P. Kurz Chemical Science 2012, 3, 2330–2339, 10.1039/c2sc20226c

927 Water oxidation by electrodeposited cobalt oxides - role of anions and redox-inert cations in structure and function of the amorphous catalyst M. Risch, K. Klingan, F. Ringleb, P. Chernev, I. Zaharieva, A. Fischer, H. Dau ChemSusChem 2012, 5, 542–549, 10.1002/cssc.201100574

923 Alternating electron and proton transfer steps in photosynthetic water oxidation A. Klauss, M. Haumann, H. Dau Proc Natl Acad Sci U S A 2012, 109, 16035–16040, 10.1073/pnas.1206266109

922 Structural models of the manganese complex of photosystem II and mechanistic implications A. Grundmeier, H. Dau Biochimica et Biophysica Acta 2012, 1817, 88–105, 10.1016/j.bbabio.2011.07.004

921 Recent developments in research on water oxidation by photosystem II H. Dau, I. Zaharieva, M. Haumann Current Opinion in Chemical Biology 2012, 16, 3–10, 10.1016/j.cbpa.2012.02.011

920 A Janus cobalt-based catalytic material for electro-splitting of water S. Cobo, J. Heidkamp, P. A. Jacques, J. Fize, V. Fourmond, L. Guetaz, B. Jousselme, V. Ivanova, H. Dau, S. Palacin, M. Fontecave, V. Artero Nature Materials 2012, 11, 802–807, 10.1038/NMAT3385

919 Nickel-oxido structure of a water-oxidizing catalyst film M. Risch, K. Klingan, J. Heidkamp, D. Ehrenberg, P. Chernev, I. Zaharieva, H. Dau Chemical Communications 2011, 47, 11912–11914, 10.1039/c1cc15072c

918 Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results G. Mattioli, M. Risch, A. A. Bonapasta, H. Dau, L. Guidoni Physical Chemistry Chemical Physics 2011, 13, 15437–15441, 10.1039/c1cp21776c

760 [NiFe] and [FeS] Cofactors in the Membrane-Bound Hydrogenase of Ralstonia eutropha Investigated by X-ray Absorption Spectroscopy: Insights into O2-Tolerant H2 Cleavage F. Johannes, S. Löscher, O. Sanganas, E. Siebert, I. Zebger, M. Stein, M. Ludwig, A. L. De Lacey, H. Dau, B. Friedrich, O. Lenz, M. Haumann Biochemistry 2011, 50, 5858–5869, 10.1021/bi200367u

719 Structural Basis of Cyanobacterial Photosystem II Inhibition by the Herbicide Terbutryn M. Broser, C. Glöckner, A. Gabdulkhakov, A. Guskov, J. Buchta, J. Kern, F. Müh, H. Dau, W. Saenger, A. Zouni Journal of Biological Chemistry 2011, 286, 15964–15972, 10.1074/jbc.M110.215970

671 An Oxocobalt(IV) Complex Stabilized by Lewis Acid Interactions with Scandium(III) Ions F. Pfaff, S. Kundu, M. Risch, S. Pandian, F. Heims, I. Pryjoms-Ray, P. Haack, R. Metzinger, E. Bill, H. Dau, P. Comba, K. Ray Angewandte Chemie International Edition 2011, 50, 1711–1715, 10.1002/anie.201005869

582 Water Oxidation by Photosystem II: H2O-D2O Exchange and the Influence of pH Support Formation of an Intermediate by Removal of a Proton before Dioxygen Creation L. Gerencser, H. Dau Biochemistry 2010, 49, 10098–10106, 10.1021/bi101198n

581 Synthetic manganese-calcium oxides mimic the water-oxidizing complex of photosynthesis functionally and structurally I. Zaharieva, M. M. Najafpour, M. Wiechen, M. Haumann, P. Kurz, H. Dau Energy & Environmental Science 2011, 4, 2400–2408, 10.1039/c0ee00815j

580 Noncovalent Modification of Carbon Nanotubes with Pyrene- Functionalized Nickel Complexes: Carbon Monoxide Tolerant Catalysts for Hydrogen Evolution and Uptake P. D. Tran, J. Heidkamp, M. Fontecave, V. Artero, H. Dau Angewandte Chemie International Edition 2011, 50, 1–5, 10.1002/anie.201005427

579 Thermodynamic Limitations of Photosynthetic Water Oxidation at High Proton Concentrations I. Zaharieva, J. Wichmann, H. Dau Journal of Biological Chemistry 2011, 286, 18222–18228, 10.1074/jbc.M111.237941

526 The Mechanism of Water Oxidation: From Electrolysis via Homogenous to Biological Catalysis H. Dau, C. Limberg, T. Reier, M. Risch, S. Roggan, P. Strasser ChemCatChem 2010, 2, 724–761, 10.1002/cctc.201000126

423 Carboxylate shifts steer inter-quinone electron transfer in photosynthesis P. Chernev, I. Zaharieva, H. Dau, M. Haumann The Journal Of Biological Chemistry 2011, 286, 5368–5374, 10.1074/jbc.M110.202879

369 Principles, Efficiency, and Blueprint Character of Solar-Energy Conversion in Photosynthetic Water Oxidation H. Dau, I. Zaharieva Accounts of Chemical Research 2009, 42, 1861–1870, 10.1021/ar900225y

368 Characterisation of a water-oxidizing Co-film by XAFS M. Risch, F. Ringleb, V. Khare, P. Chernev, I. Zaharieva, H. Dau Journal of Physics: Conference Series 2009, 190, 1–4, 10.1088/1742-6596/190/1/012167

367 Towards a comprehensive X-ray approach for studying the photosynthetic manganese complex-XANES, K Alpha/K Beta/K Beta-satellite emission lines, RIXS, and comparative computational approaches for selected model complexes I. Zaharieva, P. Chernev, M. Risch, L. Gerencser, G. Bergren, D. Shevchenko, M. Anderlund, T. C. Weng, M. Haumann, H. Dau Journal of Physics: Conference Series 2009, 190, 1–6, 10.1088/1742-6596/190/1/012142

292 Resonant inelastic X-ray scattering on synthetic nickel compounds and Ni-Fe hydrogenase protein O. Sanganas, S. Löscher, S. Pfirrmann, N. Marinos, P. Glatzel, T. C. Weng, C. Limberg, M. Driess, H. Dau, M. Haumann Journal of Physics: Conference Series 2009, 190, 12199–12199, 10.1088/1742-6596/190/1/012199

145 The manganese complex of photosystem II in its reaction cycle - basic framework and possible realization at the atomic level H. Dau, M. Haumann Coordination Chemistry Reviews 2008, 252, 273–295, 10.1016/j.ccr.2007.09.001

144 Photosynthetic water oxidation at elevated dioxygen partial pressure monitored by time-resolved X-ray absorption measurements M. Haumann, A. Grundmeier, I. Zaharieva, H. Dau Proceedings of the National Academy of Sciences of the United States of America 2008, 105, 17384–17389, 10.1073/pnas.0802596105

128 Cobalt-Oxo Core of a Water-Oxidizing Catalyst Film M. Risch, I. Zaharieva, L. Gerencser, P. Chernev, H. Dau Journal of the American Chemical Society 2009, 131, 6936–6937, 10.1021/ja902121f