UniSysCat Publications

  • Potential‐Dependent Morphology of Copper Catalysts During CO2 Electroreduction Revealed by In Situ Atomic Force Microscopy, G. H. Simon, C. S. Kley, B. Roldan Cuenya, Angewandte Chemie International Edition 2021, 60, 2561–2568, 10.1002/anie.202010449
  • Structural Evolution of Ga–Cu Model Catalysts for CO2 Hydrogenation Reactions, J. Q. Zhong, S. Shaikhutdinov, B. Roldan Cuenya, The Journal of Physical Chemistry C 2021, 125, 1361–1367, 10.1021/acs.jpcc.0c09382
  • Pt-Sn-Co nanocubes as highly active catalysts for ethanol electro-oxidation, R. Rizo, A. Bergmann, J. Timoshenko, F. Scholten, C. Rettenmaier, H. S. Jeon, Y. T. Chen, A. Yoon, A. Bagger, J. Rossmeisl, B. Roldan Cuenya, Journal of Catalysis 2021, 393, 247–258, 10.1016/j.jcat.2020.11.017
  • Growth Dynamics and Processes Governing the Stability of Electrodeposited Size-Controlled Cubic Cu Catalysts, P. Grosse, A. Yoon, C. Rettenmaier, S. W. Chee, B. Roldan Cuenya, The Journal of Physical Chemistry C 2020, 124, 26908–26915, 10.1021/acs.jpcc.0c09105
  • Operando NRIXS and XAFS Investigation of Segregation Phenomena in Fe‐Cu and Fe‐Ag Nanoparticle Catalysts during CO2 Electroreduction, S. Kunze, P. Grosse, M. Bernal Lopez, I. Sinev, I. Zegkinoglou, H. Mistry, J. Timoshenko, M. Y. Hu, J. Zhao, E. E. Alp, S. W. Chee, B. Roldan Cuenya, Angewandte Chemie International Edition 2020, 59, 22667–22674, 10.1002/anie.202010535
  • Key role of chemistry versus bias in electrocatalytic oxygen evolution, H. N. Nong, L. J. Falling, A. Bergmann, M. Klingenhof, H. P. Tran, C. Spöri, R. Mom, J. Timoshenko, G. Zichittella, A. Knop-Gericke, S. Piccinin, J. Pérez-Ramírez, B. R. Cuenya, R. Schlögl, P. Strasser, D. Teschner, T. E. Jones, Nature 2020, 587, 408–413, 10.1038/s41586-020-2908-2
  • On the Activity/Selectivity and Phase Stability of Thermally Grown Copper Oxides during the Electrocatalytic Reduction of CO2, J. J. Velasco-Vélez, C. H. Chuang, D. Gao, Q. Zhu, D. Ivanov, H. S. Jeon, R. Arrigo, R. V. Mom, E. Stotz, H. L. Wu, T. E. Jones, B. Roldan Cuenya, A. Knop-Gericke, R. Schlögl, ACS Catalysis 2020, 10, 11510–11518, 10.1021/acscatal.0c03484
  • Enhanced Formic Acid Oxidation over SnO2 -decorated Pd Nanocubes, C. Rettenmaier, R. M. Arán-Ais, J. Timoshenko, R. Rizo, H. S. Jeon, S. Kühl, S. W. Chee, A. Bergmann, B. Roldan Cuenya, ACS Catalysis 2020, 10, 14540–14551, 10.1021/acscatal.0c03212
  • Reversible Water-Induced Phase Changes of Cobalt Oxide Nanoparticles, D. Hein, G. Wartner, A. Bergmann, M. Bernal, B. Roldan Cuenya, R. Seidel, ACS Nano 2020, 14, 15450–15457, 10.1021/acsnano.0c06066
  • Transition metal-based catalysts for the electrochemical CO2 reduction: from atoms and molecules to nanostructured materials, F. Franco, C. Rettenmaier, H. S. Jeon, B. Roldan Cuenya, Chemical Society Reviews 2020, 49, 6884–6946, 10.1039/D0CS00835D
  • Synthesis of Vinylene-Linked Covalent Organic Frameworks from Acetonitrile: Combining Cyclotrimerization and Aldol Condensation in One Pot, A. Acharjya, L. Longworth-Dunbar, J. Roeser, P. Pachfule, A. Thomas, Journal of the American Chemical Society 2020, 142, 14033–14038, 10.1021/jacs.0c04570
  • Revisiting the Intriguing Electronic Features of the BeOBeC Carbyne and Some Isomers: A Quantum‐Chemical Assessment, J. Li, C. Geng, T. Weiske, M. Zhou, J. Li, H. Schwarz, Angewandte Chemie International Edition 2020, 10.1002/anie.202007990
  • Host–Guest Chemistry Meets Electrocatalysis: Cucurbit[6]uril on a Au Surface as a Hybrid System in CO Reduction, A. Wagner, K. H. Ly, N. Heidary, I. Szabó, T. Földes, K. I. Assaf, S. J. Barrow, K. Sokołowski, M. Al-Hada, N. Kornienko, M. F. Kuehnel, E. Rosta, I. Zebger, W. M. Nau, O. A. Scherman, E. Reisner, ACS Catalysis 2019, 10, 751–761, 10.1021/acscatal.9b04221
  • Ein neutrales 1,4‐Diborabenzol als π‐Ligand in Actinoidkomplexen, V. Paprocki, P. Hrobárik, K. L. M. Harriman, M. S. Luff, T. Kupfer, M. Kaupp, M. Murugesu, H. Braunschweig, Angewandte Chemie 2020, 132, 13209–13216, 10.1002/ange.202004501
  • A Local Hybrid Functional with Wide Applicability and Good Balance between (De)Localization and Left–Right Correlation, M. Haasler, T. M. Maier, R. Grotjahn, S. Gückel, A. V. Arbuznikov, M. Kaupp, Journal of Chemical Theory and Computation 2020, 16, 5645–5657, 10.1021/acs.jctc.0c00498
  • Stable Actinide π Complexes of a Neutral 1,4‐Diborabenzene, V. Paprocki, P. Hrobárik, K. L. M. Harriman, M. S. Luff, T. Kupfer, M. Kaupp, M. Murugesu, H. Braunschweig, Angewandte Chemie International Edition 2020, 59, 13109–13115, 10.1002/anie.202004501
  • Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table, J. Vı́cha, J. Novotný, S. Komorovsky, M. Straka, M. Kaupp, R. Marek, Chemical Reviews 2020, 120, 7065–7103, 10.1021/acs.chemrev.9b00785
  • Covalent vs Charge-Shift Nature of the Metal–Metal Bond in Transition Metal Complexes: A Unified Understanding, J. Joy, D. Danovich, M. Kaupp, S. Shaik, Journal of the American Chemical Society 2020, 142, 12277–12287, 10.1021/jacs.0c03957
  • A Spectroscopic and Computationally Minimal Approach to the Analysis of Charge‐Transfer Processes in Conformationally Fluxional Mixed‐Valence and Heterobimetallic Complexes, S. Gückel, J. B. G. Gluyas, S. G. Eaves, P. Safari, D. S. Yufit, A. N. Sobolev, M. Kaupp, P. J. Low, Chemistry – A European Journal 2019, 10.1002/chem.201901200
  • Confinement of Cobalt Species in Mesoporous N-Doped Carbons and the Impact on Nitroarene Hydrogenation, R. L. Oliveira, M. C. Ben Ghorbel, S. Praetz, D. Meiling, C. Schlesiger, R. Schomäcker, A. Thomas, ACS Sustainable Chemistry & Engineering 2020, 8, 11171–11182, 10.1021/acssuschemeng.0c02365
  • Operando Raman spectroscopy tracks oxidation-state changes in an amorphous Co oxide material for electrocatalysis of the oxygen evolution reaction, C. Pasquini, L. D’Amario, I. Zaharieva, H. Dau, The Journal of Chemical Physics 2020, 152, 194202–0, 10.1063/5.0006306
  • A synthetic manganese–calcium cluster similar to the catalyst of Photosystem II: challenges for biomimetic water oxidation, Y. Mousazade, M. R. Mohammadi, R. Bagheri, R. Bikas, P. Chernev, Z. Song, T. Lis, M. Siczek, N. Noshiranzadeh, S. Mebs, H. Dau, I. Zaharieva, M. M. Najafpour, Dalton Transactions 2020, 49, 5597–5605, 10.1039/d0dt00536c
  • Exploring the Limits of Self-Repair in Cobalt Oxide Films for Electrocatalytic Water Oxidation, M. R. Mohammadi, S. Loos, P. Chernev, C. Pasquini, I. Zaharieva, D. González-Flores, P. Kubella, K. Klingan, R. D. L. Smith, H. Dau, ACS Catalysis 2020, 10, 7990–7999, 10.1021/acscatal.0c01944
  • Carbon fibre paper coated by a layered manganese oxide: a nano-structured electrocatalyst for water-oxidation with high activity over a very wide pH range, J. Melder, S. Mebs, P. A. Heizmann, R. Lang, H. Dau, P. Kurz, Journal of Materials Chemistry A 2019, 7, 25333–25346, 10.1039/c9ta08804k
  • Unraveling Mechanistic Reaction Pathways of the Electrochemical CO Reduction on Fe–N–C Single-Site Catalysts, W. Ju, A. Bagger, X. Wang, Y. Tsai, F. Luo, T. Möller, H. Wang, J. Rossmeisl, A. S. Varela, P. Strasser, ACS Energy Letters 2019, 4, 1663–1671, 10.1021/acsenergylett.9b01049
  • Mechanistic reaction pathways of enhanced ethylene yields during electroreduction of CO2–CO co-feeds on Cu and Cu-tandem electrocatalysts, X. Wang, J. F. de Araújo, W. Ju, A. Bagger, H. Schmies, S. Kühl, J. Rossmeisl, P. Strasser, Nature Nanotechnology 2019, 14, 1063–1070, 10.1038/s41565-019-0551-6
  • P-block single-metal-site tin/nitrogen-doped carbon fuel cell cathode catalyst for oxygen reduction reaction, F. Luo, A. Roy, L. Silvioli, D. A. Cullen, A. Zitolo, M. T. Sougrati, I. C. Oguz, T. Mineva, D. Teschner, S. Wagner, J. Wen, F. Dionigi, U. I. Kramm, J. Rossmeisl, F. Jaouen, P. Strasser, Nature Materials 2020, 10.1038/s41563-020-0717-5
  • Electrocatalytic CO Reduction on CuO Nanocubes: Tracking the Evolution of Chemical State, Geometric Structure, and Catalytic Selectivity using Operando Spectroscopy, T. Möller, F. Scholten, T. N. Thanh, I. Sinev, J. Timoshenko, X. Wang, Z. Jovanov, M. Gliech, B. Roldan Cuenya, A. S. Varela, P. Strasser, Angewandte Chemie 2020, 10.1002/ange.202007136
  • Catalytic dioxygen reduction mediated by a tetranuclear cobalt complex supported on a stannoxane core, A. Chandra, S. Mebs, S. Kundu, U. Kuhlmann, P. Hildebrandt, H. Dau, K. Ray, Dalton Transactions 2020, 49, 6065–6073, 10.1039/d0dt00475h
  • Electrochemical Fixation of Nitrogen and Its Coupling with Biomass Valorization with a Strongly Adsorbing and Defect Optimized Boron–Carbon–Nitrogen Catalyst, Q. Qin, T. Heil, J. Schmidt, M. Schmallegger, G. Gescheidt, M. Antonietti, M. Oschatz, ACS Applied Energy Materials 2019, 2, 8359–8365, 10.1021/acsaem.9b01852
  • Enhanced Electrocatalytic N Reduction via Partial Anion Substitution in Titanium Oxide–Carbon Composites, Q. Qin, Y. Zhao, M. Schmallegger, T. Heil, J. Schmidt, R. Walczak, G. Gescheidt‐Demner, H. Jiao, M. Oschatz, Angewandte Chemie International Edition 2019, 58, 13101–13106, 10.1002/anie.201906056
  • Overcoming Chemical Inertness under Ambient Conditions: A Critical View on Recent Developments in Ammonia Synthesis via Electrochemical N Reduction by Asking Five Questions, Q. Qin, M. Oschatz, ChemElectroChem 2020, 7, 878–889, 10.1002/celc.201901970
  • Influence of Local Environments in Pores of Different Size on the Catalytic Liquid-Phase Oxidation of -Glucose by Au Nanoparticles Supported on Nanoporous Carbon, M. Perovic, N. V. Tarakina, J. P. Hofmann, M. Oschatz, ACS Applied Nano Materials 2020, 3, 7695–7703, 10.1021/acsanm.0c01299
  • Immobilization of an Iridium Pincer Complex in a Microporous Polymer for Application in Room‐Temperature Gas Phase Catalysis, M. König, M. Rigo, N. Chaoui, T. Tran Ngoc, J. D. Epping, J. Schmidt, P. Pachfule, M. Ye, M. Trunk, J. F. Teichert, M. Drieß, A. Thomas, Angewandte Chemie International Edition 2020, 10.1002/anie.202004092
  • A Simple Nickel Catalyst Enabling an ‐Selective Alkyne Semihydrogenation, N. O. Thiel, B. Kaewmee, T. Tran Ngoc, J. F. Teichert, Chemistry – A European Journal 2020, 26, 1597–1603, 10.1002/chem.201903850
  • Imaging electrochemically synthesized Cu2O cubes and their morphological evolution under conditions relevant to CO2 electroreduction, R. M. Arán-Ais, R. Rizo, P. Grosse, G. Algara-Siller, K. Dembélé, M. Plodinec, T. Lunkenbein, S. W. Chee, B. Roldan Cuenya, Nature Communications 2020, 11, 10.1038/s41467-020-17220-6
  • Impact of Nanomorphology on Surface Doping of Organic Semiconductors: The Pentacene–C F Interface, F. Silvestri, M. J. Prieto, A. Babuji, L. C. Tănase, L. de Souza Caldas, O. Solomeshch, T. Schmidt, C. Ocal, E. Barrena, ACS Applied Materials & Interfaces 2020, 12, 25444–25452, 10.1021/acsami.0c05583
  • In-situ structure and catalytic mechanism of NiFe and CoFe layered double hydroxides during oxygen evolution, F. Dionigi, Z. Zeng, I. Sinev, T. Merzdorf, S. Deshpande, M. B. Lopez, S. Kunze, I. Zegkinoglou, H. Sarodnik, D. Fan, A. Bergmann, J. Drnec, J. F. d. Araujo, M. Gliech, D. Teschner, J. Zhu, W. X. Li, J. Greeley, B. Roldan Cuenya, P. Strasser, Nature Communications 2020, 11, 10.1038/s41467-020-16237-1
  • The role of in situ generated morphological motifs and Cu(i) species in C2+ product selectivity during CO2 pulsed electroreduction, R. M. Arán-Ais, F. Scholten, S. Kunze, R. Rizo, B. Roldan Cuenya, Nature Energy 2020, 5, 317–325, 10.1038/s41560-020-0594-9
  • Operando Insight into the Correlation between the Structure and Composition of CuZn Nanoparticles and Their Selectivity for the Electrochemical CO Reduction, H. S. Jeon, J. Timoshenko, F. Scholten, I. Sinev, A. Herzog, F. T. Haase, B. Roldan Cuenya, Journal of the American Chemical Society 2019, 141, 19879–19887, 10.1021/jacs.9b10709
  • Selective CO Electroreduction to Ethylene and Multicarbon Alcohols via Electrolyte‐Driven Nanostructuring, D. Gao, I. Sinev, F. Scholten, R. M. Arán‐Ais, N. J. Divins, K. Kvashnina, J. Timoshenko, B. Roldan Cuenya, Angewandte Chemie International Edition 2019, 58, 17047–17053, 10.1002/anie.201910155
  • Operando Insights into Nanoparticle Transformations during Catalysis, A. Bergmann, B. Roldan Cuenya, ACS Catalysis 2019, 9, 10020–10043, 10.1021/acscatal.9b01831
  • Pd nanoparticles confined in mesoporous N-doped carbon silica supports: a synergistic effect between catalyst and support, R. L. Oliveira, J. Kerstien, R. Schomäcker, A. Thomas, Catalysis Science & Technology 2020, 10, 1385–1394, 10.1039/c9cy01920k
  • Silica-Templated Covalent Organic Framework-Derived Fe–N-Doped Mesoporous Carbon as Oxygen Reduction Electrocatalyst, X. Zhao, P. Pachfule, S. Li, T. Langenhahn, M. Ye, G. Tian, J. Schmidt, A. Thomas, Chemistry of Materials 2019, 31, 3274–3280, 10.1021/acs.chemmater.9b00204
  • A Polysiloxide Complex with two Chromium(III) η ‐Superoxo Moieties, M. Wind, B. Braun‐Cula, F. Schax, C. Herwig, C. Limberg, Israel Journal of Chemistry 2019, 10.1002/ijch.201900119
  • Counter‐Intuitive Gas‐Phase Reactivities of [V ] and [V O] towards CO Reduction: Insight from Electronic Structure Calculations, J. Li, C. Geng, T. Weiske, H. Schwarz, Angewandte Chemie International Edition 2020, 59, 12308–12314, 10.1002/anie.202001223
  • Synergistic electroreduction of carbon dioxide to carbon monoxide on bimetallic layered conjugated metal-organic frameworks, H. Zhong, M. Ghorbani-Asl, K. H. Ly, J. Zhang, J. Ge, M. Wang, Z. Liao, D. Makarov, E. Zschech, E. Brunner, I. M. Weidinger, J. Zhang, A. V. Krasheninnikov, S. Kaskel, R. Dong, X. Feng, Nature Communications 2020, 11, 10.1038/s41467-020-15141-y
  • A Phthalocyanine‐Based Layered Two‐Dimensional Conjugated Metal–Organic Framework as a Highly Efficient Electrocatalyst for the Oxygen Reduction Reaction, H. Zhong, K. H. Ly, M. Wang, Y. Krupskaya, X. Han, J. Zhang, J. Zhang, V. Kataev, B. Büchner, I. M. Weidinger, S. Kaskel, P. Liu, M. Chen, R. Dong, X. Feng, Angewandte Chemie 2019, 131, 10787–10792, 10.1002/ange.201907002
  • Molecular Engineering of Conjugated Acetylenic Polymers for Efficient Cocatalyst‐free Photoelectrochemical Water Reduction, H. Sun, I. H. Öner, T. Wang, T. Zhang, O. Selyshchev, C. Neumann, Y. Fu, Z. Liao, S. Xu, Y. Hou, A. Turchanin, D. R. T. Zahn, E. Zschech, I. M. Weidinger, J. Zhang, X. Feng, Angewandte Chemie 2019, 131, 10476–10482, 10.1002/ange.201904978
  • Accelerated Photo‐Induced Degradation of Benzidine‐ ‐Aminothiophenolate Immobilized at Light‐Enhancing TiO Nanotube Electrodes, C. J. Querebillo, I. H. Öner, P. Hildebrandt, K. H. Ly, I. M. Weidinger, Chemistry – A European Journal 2019, 25, 16048–16053, 10.1002/chem.201902963
  • Influence of Mesityl and Thiophene Peripheral Substituents on Surface Attachment, Redox Chemistry, and ORR Activity of Molecular Iron Porphyrin Catalysts on Electrodes, R. Götz, K. H. Ly, P. Wrzolek, A. Dianat, A. Croy, G. Cuniberti, P. Hildebrandt, M. Schwalbe, I. M. Weidinger, Inorganic Chemistry 2019, 58, 10637–10647, 10.1021/acs.inorgchem.9b00043
  • Gradient metal nanoislands as a unified surface enhanced Raman scattering and surface enhanced infrared absorption platform for analytics, D. Gkogkou, T. Shaykhutdinov, C. Kratz, T. W. H. Oates, P. Hildebrandt, I. M. Weidinger, K. H. Ly, N. Esser, K. Hinrichs, The Analyst 2019, 144, 5271–5276, 10.1039/C9an00839J
  • Cobalt‐Exchanged Poly(Heptazine Imides) as Transition Metal–N Electrocatalysts for the Oxygen Evolution Reaction, M. Ye, S. Li, X. Zhao, N. V. Tarakina, C. Teutloff, W. Y. Chow, R. Bittl, A. Thomas, Advanced Materials 2020, 32, 1903942–0, 10.1002/adma.201903942
  • Catalytic Difunctionalization of Unactivated Alkenes with Unreactive Hexamethyldisilane through Regeneration of Silylium Ions, Q. Wu, A. Roy, E. Irran, Z. Qu, S. Grimme, H. F. T. Klare, M. Oestreich, Angewandte Chemie International Edition 2019, 58, 17307–17311, 10.1002/anie.201911282
  • Silylium-Ion-Promoted Ring-Opening Hydrosilylation and Disilylation of Unactivated Cyclopropanes, A. Roy, V. Bonetti, G. Wang, Q. Wu, H. F. T. Klare, M. Oestreich, Organic Letters 2020, 22, 1213–1216, 10.1021/acs.orglett.0c00173
  • Synthesis of a Counteranion‐Stabilized Bis(silylium) Ion, Q. Wu, A. Roy, G. Wang, E. Irran, H. F. T. Klare, M. Oestreich, Angewandte Chemie International Edition 2020, 59, 10523–10526, 10.1002/anie.202003799
  • Silylium‐Ion‐Promoted (5+1) Cycloaddition of Aryl‐Substituted Vinylcyclopropanes and Hydrosilanes Involving Aryl Migration, T. He, G. Wang, V. Bonetti, H. F. T. Klare, M. Oestreich, Angewandte Chemie International Edition 2020, 59, 12186–12191, 10.1002/anie.202004320
  • On the Crucial Role of Isolated Electronic States in the Thermal Reaction of ReC with Dihydrogen, J. Li, C. Geng, T. Weiske, H. Schwarz, Angewandte Chemie International Edition 2020, 59, 9370–9376, 10.1002/anie.202001599
  • Macro/Microporous Covalent Organic Frameworks for Efficient Electrocatalysis, X. Zhao, P. Pachfule, S. Li, T. Langenhahn, M. Ye, C. Schlesiger, S. Praetz, J. Schmidt, A. Thomas, Journal of the American Chemical Society 2019, 141, 6623–6630, 10.1021/jacs.9b01226
  • A New Domain of Reactivity for High-Valent Dinuclear [M(μ-O) M′] Complexes in Oxidation Reactions, X. Engelmann, S. Yao, E. R. Farquhar, T. Szilvási, U. Kuhlmann, P. Hildebrandt, M. Driess, K. Ray, Angewandte Chemie 2017, 129, 303–307, 10.1002/ange.201607611