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1251 Publications


2020 | Journal Article | LibreCat-ID: 17374
Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy
J. Ibaceta-Jaña, R. Muydinov, P. Rosado, H. Mirhosseini, M. Chugh, O. Nazarenko, D.N. Dirin, D. Heinrich, M.R. Wagner, T. Kühne, B. Szyszka, M.V. Kovalenko, A. Hoffmann, Phys. Chem. Chem. Phys. 22 (2020) 5604–5614.
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2020 | Journal Article | LibreCat-ID: 17376
Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells
P. Schöppe, S. Schönherr, M. Chugh, H. Mirhosseini, P. Jackson, R. Wuerz, M. Ritzer, A. Johannes, G. Martínez-Criado, W. Wisniewski, T. Schwarz, C. T. Plass, M. Hafermann, T. Kühne, C. S. Schnohr, C. Ronning, Nano Energy 71 (2020) 104622.
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2020 | Journal Article | LibreCat-ID: 23855
Polyester resins based on soybean oil: synthesis and characterization
K.I. Aly, J. Sun, D. Kuckling, O. Younis, Journal of Polymer Research 27 (2020).
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2020 | Journal Article | LibreCat-ID: 23852
Dually Crosslinked Supramolecular Hydrogel for Cancer Biomarker Sensing
J. Li, C. Ji, B. Lü, M. Rodin, J. Paradies, M. Yin, D. Kuckling, ACS Applied Materials & Interfaces 12 (2020) 36873–36881.
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2020 | Journal Article | LibreCat-ID: 23849
Novel Application of Polymer Networks Carrying Tertiary Amines as a Catalyst Inside Microflow Reactors Used for Knoevenagel Reactions
P. Berg, F. Obst, D. Simon, A. Richter, D. Appelhans, D. Kuckling, European Journal of Organic Chemistry (2020) 5765–5774.
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2020 | Journal Article | LibreCat-ID: 23848
Analysis of sequence-defined oligomers through Advanced Polymer Chromatography™ – mass spectrometry hyphenation
M.-T. Berg, C. Mertens, F. Du Prez, T.D. Kühne, A. Herberg, D. Kuckling, RSC Advances 10 (2020) 35245–35252.
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2020 | Journal Article | LibreCat-ID: 23847 LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 23856
Investigation of Gel Properties of Novel Cryo-Clay-Silica Polymer Networks
P. Berg, C.D. Prowald, D. Kuckling, Gels 6 (2020).
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2020 | Journal Article | LibreCat-ID: 34643
Kinetic studies of cathode degradation on PEM fuel cell short stack level undergoing freeze startups with different states of residual water and current draws
L. Liphardt, K. Suematsu, G. Grundmeier, International Journal of Hydrogen Energy 46 (2020) 4399–4406.
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2020 | Journal Article | LibreCat-ID: 33646
Effects of KF and RbF treatments on Cu(In,Ga)Se2-based solar cells: A combined photoelectron spectroscopy and DFT study
I. Majumdar, S.K. Sahoo, V. Parvan, H. Mirhosseini, B. Chacko, Y. Wang, D. Greiner, T. Kühne, R. Schlatmann, I. Lauermann, Applied Surface Science 538 (2020).
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2020 | Journal Article | LibreCat-ID: 33647
Guanine condensates as covalent materials and the concept of cryptopores
J. Kossmann, D. Piankova, N.V. Tarakina, J.J. Heske, T. Kühne, J. Schmidt, M. Antonietti, N. López-Salas, Carbon 172 (2020) 497–505.
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2020 | Journal Article | LibreCat-ID: 35328
The Deterioration Mechanism of Silicone Molds in Polyurethane Vacuum Casting
M. Wortmann, N. Frese, W. Keil, J. Brikmann, J. Biedinger, B. Brockhagen, G. Reiss, C. Schmidt, A. Gölzhäuser, E. Moritzer, B. Hüsgen, ACS Applied Polymer Materials 2 (2020) 4719–4732.
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2020 | Conference (Editor) | LibreCat-ID: 35618
Science Teaching Processes (strand 3). In Levrini, O. & Tasquier, G. (eds.), The beauty and pleasure of understanding: engaging with contemporary challenges through science education. Electronic Proceedings of the ESERA 2019 Conference.
S. Fechner, R. Verhoeff, eds., Science Teaching Processes (Strand 3). In Levrini, O. & Tasquier, G. (Eds.), The Beauty and Pleasure of Understanding: Engaging with Contemporary Challenges through Science Education. Electronic Proceedings of the ESERA 2019 Conference. , University of Bologna, Bologna, 2020.
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2020 | Journal Article | LibreCat-ID: 16301 | OA
All-optical switching of a dye-doped liquid crystal plasmonic metasurface
B. Atorf, H. Mühlenbernd, T. Zentgraf, H.-S. Kitzerow, Optics Express 28 (2020) 8898–8908.
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2020 | Journal Article | LibreCat-ID: 22534
Single-Molecule Desorption Studies of Poly(acrylic acid) at Electrolyte/Oxide/TiAlN Interfaces
S. Schwiderek, A.G. Orive, S. Karimi Aghda, J.M. Schneider, M.T. de los Arcos de Pedro, G. Grundmeier, Langmuir (2020) 9489–9498.
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2020 | Journal Article | LibreCat-ID: 22537
Characterisation of micropores in plasma deposited SiO x films by means of positron annihilation lifetime spectroscopy
C. Hoppe, F. Mitschker, M. Butterling, M.O. Liedke, M.T. de los Arcos de Pedro, P. Awakowicz, A. Wagner, G. Grundmeier, Journal of Physics D: Applied Physics (2020).
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2020 | Journal Article | LibreCat-ID: 22536
Influence of dielectric barrier plasma treatment of ZnMgAl alloy‐coated steel on the adsorption of organophosphonic acid monolayers
S. Knust, A. Kuhlmann, A.G. Orive, M.T. de los Arcos de Pedro, G. Grundmeier, Surface and Interface Analysis (2020) 1077–1082.
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2020 | Journal Article | LibreCat-ID: 35869
Organic Light‐Emitting Diodes Based on a Columnar Liquid‐Crystalline Perylene Emitter
C. Keum, D. Becker, E. Archer, H. Bock, H.-S. Kitzerow, M.C. Gather, C. Murawski, Advanced Optical Materials 8 (2020).
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2020 | Journal Article | LibreCat-ID: 35859
Dynamics of a liquid crystal-based modulator with germanium substrates for mid-infrared radiation
A.M. Risse, J. Schmidtke, H.-S. Kitzerow, Liquid Crystals 48 (2020) 1025–1033.
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2020 | Journal Article | LibreCat-ID: 37956
Organische Chemie
J.N. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst, J. Greb, T. Gulder, W. Hüttel, S. Kath‐Schorr, M. Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle, A. Narine, J. Niemeyer, J. Paradies, R. Pfau, J. Pietruszka, N. Schaschke, M. Senge, B.F. Straub, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 68 (2020) 42–72.
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2020 | Journal Article | LibreCat-ID: 37951 LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 37952
Benzoxepinones: A new isoform-selective class of tumor associated carbonic anhydrase inhibitors
A. Grandane, A. Nocentini, T. Werner, R. Zalubovskis, C.T. Supuran, Bioorganic and Medicinal Chemistry 28 (2020).
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2020 | Journal Article | LibreCat-ID: 37953
Plasma‐Assisted Immobilization of a Phosphonium Salt and Its Use as a Catalyst in the Valorization of CO 2
Y. Hu, S. Peglow, L. Longwitz, M. Frank, J.D. Epping, V. Brüser, T. Werner, ChemSusChem 13 (2020) 1825–1833.
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2020 | Journal Article | LibreCat-ID: 37949
Stereoselective Synthesis of a cis-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant
V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, T. Werner, Organic Process Research and Development 25 (2020) 89–97.
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2020 | Journal Article | LibreCat-ID: 37948
Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides
X. Liu, T. Werner, Advanced Synthesis and Catalysis 363 (2020) 1096–1104.
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2020 | Journal Article | LibreCat-ID: 37950
Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO2 with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts
Y. Hu, Z. Wei, A. Frey, C. Kubis, C. Ren, A. Spannenberg, H. Jiao, T. Werner, ChemSusChem 14 (2020) 363–372.
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2020 | Journal Article | LibreCat-ID: 35868
DNA Origami Nano-Sheets and Nano-Rods Alter the Orientational Order in a Lyotropic Chromonic Liquid Crystal
B. Zhang, K. Martens, L. Kneer, T. Funck, L. Nguyen, R. Berger, M. Dass, S. Kempter, J. Schmidtke, T. Liedl, H.-S. Kitzerow, Nanomaterials 10 (2020).
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2020 | Dissertation | LibreCat-ID: 41005
N-heterocyclic carbene based iron and ruthenium photosensitizer with amine donors - A systematic study on spectroscopic differences
Y. Vukadinovic, N-Heterocyclic Carbene Based Iron and Ruthenium Photosensitizer with Amine Donors - A Systematic Study on Spectroscopic Differences, 2020.
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2020 | Journal Article | LibreCat-ID: 41018
Ground- and Excited-State Properties of Iron(II) Complexes Linked to Organic Chromophores
P. Dierks, A. Päpcke, O.S. Bokareva, B. Altenburger, T. Reuter, K. Heinze, O. Kühn, S. Lochbrunner, M. Bauer, Inorganic Chemistry 59 (2020) 14746–14761.
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2020 | Journal Article | LibreCat-ID: 41023
Key activity descriptors of nickel-iron oxygen evolution electrocatalysts in the presence of alkali metal cations
M. Görlin, J. Halldin Stenlid, S. Koroidov, H.-Y. Wang, M. Börner, M. Shipilin, A. Kalinko, V. Murzin, O.V. Safonova, M. Nachtegaal, A. Uheida, J. Dutta, M. Bauer, A. Nilsson, O. Diaz-Morales, Nature Communications 11 (2020).
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2020 | Journal Article | LibreCat-ID: 41022
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 39 (2020) 3131–3145.
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2020 | Journal Article | LibreCat-ID: 41025
Hard X-ray-based techniques for structural investigations of CO2 methanation catalysts prepared by MOF decomposition
N. Prinz, L. Schwensow, S. Strübbe, A. Jentys, M. Bauer, W. Kleist, M. Zobel, Nanoscale 12 (2020) 15800–15813.
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2020 | Journal Article | LibreCat-ID: 41024
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. Kühne, Structural Dynamics 7 (2020).
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2020 | Journal Article | LibreCat-ID: 41020
Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes
B.J. Gregori, M. Nowakowski, A. Schoch, S. Pöllath, J. Zweck, M. Bauer, A. Jacobi von Wangelin, ChemCatChem 12 (2020) 5359–5363.
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2020 | Journal Article | LibreCat-ID: 41027
High cycle life all-solid-state fluoride ion battery with La2NiO4+d high voltage cathode
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, Communications Materials 1 (2020).
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2020 | Journal Article | LibreCat-ID: 41015
Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach
M. Benedikter, J. Musso, M.K. Kesharwani, K.L. Sterz, I. Elser, F. Ziegler, F. Fischer, B. Plietker, W. Frey, J. Kästner, M. Winkler, J. van Slageren, M. Nowakowski, M. Bauer, M.R. Buchmeiser, ACS Catalysis 10 (2020) 14810–14823.
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2020 | Journal Article | LibreCat-ID: 41019
Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer
J.P. Zobel, O.S. Bokareva, P. Zimmer, C. Wölper, M. Bauer, L. González, Inorganic Chemistry 59 (2020) 14666–14678.
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2020 | Journal Article | LibreCat-ID: 41029
Revealing Hot and Long-Lived Metastable Spin States in the Photoinduced Switching of Solvated Metallogrid Complexes with Femtosecond Optical and X-ray Spectroscopies
M.A. Naumova, A. Kalinko, J.W.L. Wong, M. Abdellah, H. Geng, E. Domenichini, J. Meng, S.A. Gutierrez, 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. Lawson Daku, W. Gawelda, D. Khakhulin, C. Bressler, F. Meyer, K. Zheng, S.E. Canton, The Journal of Physical Chemistry Letters 11 (2020) 2133–2141.
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2020 | Journal Article | LibreCat-ID: 41028
Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum
M.A. Naumova, A. Kalinko, J.W.L. Wong, S. Alvarez Gutierrez, 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, M.L. Lawson Daku, D. Khakhulin, W. Gawelda, C. Bressler, F. Meyer, K. Zheng, S.E. Canton, The Journal of Chemical Physics 152 (2020).
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2020 | Journal Article | LibreCat-ID: 25302
Self-lubricating coatings via PDMS micro-gel dispersions
J. Ressel, O. Seewald, W. Bremser, H.-P. Reicher, O.I. Strube, Progress in Organic Coatings (2020).
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2020 | Journal Article | LibreCat-ID: 41819
Contrast variation of micelles composed of Ca2+ and block copolymers of two negatively charged polyelectrolytes
N. Carl, S. Prévost, R. Schweins, K. Huber, Colloid and Polymer Science 298 (2020) 663–679.
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2020 | Journal Article | LibreCat-ID: 41821
The Molecular Mechanism of Polymer Formation of Farnesylated Human Guanylate-binding Protein 1
L. Sistemich, M. Kutsch, B. Hämisch, P. Zhang, S. Shydlovskyi, N. Britzen-Laurent, M. Stürzl, K. Huber, C. Herrmann, Journal of Molecular Biology 432 (2020) 2164–2185.
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2020 | Journal Article | LibreCat-ID: 41820
Self‐Assembly of Pseudo‐Isocyanine Chloride as a Sensor for Macromolecular Crowding In Vitro and In Vivo
B. Hämisch, R. Pollak, S. Ebbinghaus, K. Huber, Chemistry – A European Journal 26 (2020) 7041–7050.
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2020 | Journal Article | LibreCat-ID: 41824
Self‐Assembly of Pseudo‐Isocyanine Chloride as a Sensor for Macromolecular Crowding In Vitro and In Vivo
B. Hämisch, R. Pollak, S. Ebbinghaus, K. Huber, Chemistry – A European Journal 26 (2020) 7041–7050.
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2020 | Journal Article | LibreCat-ID: 25901 | OA
Chemical and Morphological Transition of Poly(acrylonitrile)/Poly(vinylidene Fluoride) Blend Nanofibers during Oxidative Stabilization and Incipient Carbonization
M. Wortmann, N. Frese, A. Mamun, M. Trabelsi, W. Keil, B. Büker, A. Javed, M. Tiemann, E. Moritzer, A. Ehrmann, A. Hütten, C. Schmidt, A. Gölzhäuser, B. Hüsgen, L. Sabantina, Nanomaterials (2020).
LibreCat | DOI | Download (ext.)
 

2020 | Journal Article | LibreCat-ID: 25899 | OA
Humidity-Mediated Anisotropic Proton Conductivity through the 1D Channels of Co-MOF-74
A. Javed, I. Strauss, H. Bunzen, J. Caro, M. Tiemann, Nanomaterials (2020).
LibreCat | DOI | Download (ext.)
 

2020 | Journal Article | LibreCat-ID: 25903
Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing
A. Ivanova, B. Frka-Petesic, A. Paul, T. Wagner, A.N. Jumabekov, Y. Vilk, J. Weber, J. Schmedt auf der Günne, S. Vignolini, M. Tiemann, D. Fattakhova-Rohlfing, T. Bein, ACS Applied Materials & Interfaces (2020) 12639–12647.
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2020 | Journal Article | LibreCat-ID: 23854 | OA
Nanoporous aluminum oxide micropatterns prepared by hydrogel templating
Z. Chen, D. Kuckling, M. Tiemann, Nanotechnology 31 (2020).
LibreCat | DOI | Download (ext.)
 

2020 | Journal Article | LibreCat-ID: 25898 | OA
Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating
X. Zhang, C. Weinberger, S. Amrehn, X. Wu, M. Tiemann, T. Wagner, European Journal of Inorganic Chemistry (2020) 3402–3407.
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2020 | Journal Article | LibreCat-ID: 25900 | OA
Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight
A. Javed, T. Wagner, S. Wöhlbrandt, N. Stock, M. Tiemann, ChemPhysChem (2020) 605–609.
LibreCat | DOI | Download (ext.)
 

2020 | Journal Article | LibreCat-ID: 25902 | OA
Functional Nanoporous Materials
C. Weinberger, M. Tiemann, Nanomaterials (2020).
LibreCat | DOI | Download (ext.)
 

2020 | Journal Article | LibreCat-ID: 43747 | OA
Realization of all-optical vortex switching in exciton-polariton condensates
T. Meier, X. Ma, B. Berger, M. Aßmann, R. Driben, C. Schneider, S. Höfling, S. Schumacher, Nature Communications 11 (2020) 897.
LibreCat | DOI | Download (ext.)
 

2020 | Conference Paper | LibreCat-ID: 42892
Long- and Short-Term Tensile Strength and Morphology of Joined Beta-Nucleated Polypropylene Parts
A. Wübbeke, V. Schöppner, A. Paul, M. Tiemann, L. Austermeier, M. Fitze, M. Chen, F. Jakob, H.-P. Heim, T. Wu, T. Niendorf, M.-L. Röhricht, M. Schmidt, in: SPE ANTEC 2020: The Virtual Edition 5 , 2020.
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2020 | Journal Article | LibreCat-ID: 24236
Selected Aspects for the Assessment of Laser Transmission Welding
V. Schöppner, A. Wübbeke, F. Schriegel, A. Paul, M. Tiemann, B. Geißler, M. Schmidt, A. Magnier, T. Niendorf, Joining Plastics (2020) 30–35.
LibreCat
 

2020 | Journal Article | LibreCat-ID: 44995
Exploring Non-Equilibrium Molecular Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer and Microsecond Scale
C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani, J. Chem. Phys. 152 (16) (2020) 164110.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 44997
Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions
M. Brehm, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, J. Kressler, Molecules 25 (15) (2020) 3539.
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2020 | Journal Article | LibreCat-ID: 44998
Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water
J. Hunold, J. Eisermann, M. Brehm, D. Hinderberger, J. Phys. Chem. B 124 (39) (2020) 8601–8609.
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2020 | Journal Article | LibreCat-ID: 44993
From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth
L. Scarbath-Evers, R. Hammer, D. Golze, M. Brehm, D. Sebastiani, W. Widdra, Nanoscale 12 (2020) 3834–3845.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 44994
Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations
C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani, J. Chem. Phys. 152 (11) (2020) 114114.
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2020 | Journal Article | LibreCat-ID: 44999 LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 44996
TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation
M. Brehm, M. Thomas, S. Gehrke, B. Kirchner, J. Chem. Phys. 152 (16) (2020) 164105.
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2020 | Journal Article | LibreCat-ID: 24100
Nano-architectural complexity of zinc oxide nanowall hollow microspheres and their structural properties
K. Engelkemeier, J. Lindner, J. Bürger, K. Vaupel, M. Hartmann, M. Tiemann, K.-P. Hoyer, M. Schaper, Nanotechnology 31 (2020) 095701.
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2020 | Journal Article | LibreCat-ID: 16277 | OA
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H. Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).
LibreCat | Files available | DOI | Download (ext.) | arXiv
 

2020 | Conference Paper | LibreCat-ID: 16898
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K
M. Lass, R. Schade, T. Kühne, C. Plessl, in: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), IEEE Computer Society, Los Alamitos, CA, USA, 2020, pp. 1127–1140.
LibreCat | DOI | Download (ext.) | arXiv
 

2020 | Preprint | LibreCat-ID: 40994
Janus-type dual emission of a Cyclometalated Iron(III) complex
M. Bauer, J. Steube, A. Päpcke, O. Bokareva, T. Reuter, S. Demeshko, R. Schoch, S. Hohloch, F. Meyer, K. Heinze, O. Kühn, S. Lochbrunner, (2020).
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2020 | Journal Article | LibreCat-ID: 12878 | OA
Accurate Sampling with Noisy Forces from Approximate Computing
V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020).
LibreCat | DOI | Download (ext.) | arXiv
 

2019 | Journal Article | LibreCat-ID: 25303
Scalable and energy-efficient synthesis of CoxP for overall water splitting in alkaline media by high energy ball milling
H. Xue, H. Zhang, S. Fricke, M. Lüther, Z. Yang, A. Meng, W. Bremser, Z. Li, Sustainable Energy & Fuels (2019) 1723–1729.
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2019 | Journal Article | LibreCat-ID: 21364
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, ChemCatChem (2019) 1025–1035.
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2019 | Journal Article | LibreCat-ID: 23619
Structural Origins of Light-Induced Phase Segregation in Organic-Inorganic Halide Perovskite Photovoltaic Materials
R.E. Beal, N.Z. Hagström, J. Barrier, A. Gold-Parker, R. Prasanna, K.A. Bush, D. Passarello, L.T. Schelhas, K. Brüning, C.J. Tassone, H.-G. Steinrück, M.D. McGehee, M.F. Toney, A.F. Nogueira, Matter 2 (2019) 207–219.
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2019 | Journal Article | LibreCat-ID: 23620
Shedding X-ray Light on the Interfacial Electrochemistry of Silicon Anodes for Li-Ion Batteries
C. Cao, B. Shyam, J. Wang, M.F. Toney, H.-G. Steinrück, Accounts of Chemical Research 52 (2019) 2673–2683.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 23621
Morphology of Organic Semiconductors Electrically Doped from Solution Using Phosphomolybdic Acid
T.-Y. Huang, F.A. Larrain, C.H. Borca, C. Fuentes-Hernandez, H. Yan, S.A. Schneider, W.-F. Chou, V.A. Rodriguez-Toro, H.-G. Steinrück, C. Cao, C.D. Sherrill, B. Kippelen, M.F. Toney, Chemistry of Materials 31 (2019) 6677–6683.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 23622
Solid Electrolyte Interphase on Native Oxide-Terminated Silicon Anodes for Li-Ion Batteries
C. Cao, I.I. Abate, E. Sivonxay, B. Shyam, C. Jia, B. Moritz, T.P. Devereaux, K.A. Persson, H.-G. Steinrück, M.F. Toney, Joule 3 (2019) 762–781.
LibreCat | DOI
 

2019 | Conference Paper | LibreCat-ID: 23762
Generierung von Schülerfragen in lebenweltlichen Kontexten
L. Schmitz, S. Fechner, in: C. Maurer (Ed.), Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe, Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung Kiel 2018, Universität Regensburg, 2019, pp. 225–228.
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2019 | Conference Paper | LibreCat-ID: 23763
Die Wahrnehmung des Abstraktionsgrades von multiplen Repräsentationen
P. Akman, S. Fechner, in: C. Maurer (Ed.), Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe. Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung in Kiel 2018, Universität Regensburg, 2019, pp. 811–814.
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2019 | Conference Paper | LibreCat-ID: 23764
Enkodierung chemischer Konzepte aus lebenweltlichen Kontexten
F. Kehne, S. Fechner, in: C. Maurer (Ed.), Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe. Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung in Kiel 2018, Universität Regensburg, 2019, pp. 755–758.
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2019 | Journal Article | LibreCat-ID: 22652
Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths
B. Hämisch, A. Büngeler, C. Kielar, A. Keller, O. Strube, K. Huber, Langmuir 35 (2019) 12113–12122.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 22653
Enhancing the stability of DNA origami nanostructures: staple strand redesign versus enzymatic ligation
S. Ramakrishnan, L. Schärfen, K. Hunold, S. Fricke, G. Grundmeier, M. Schlierf, A. Keller, G. Krainer, Nanoscale 11 (2019) 16270–16276.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 22654
Effect of Staple Age on DNA Origami Nanostructure Assembly and Stability
C. Kielar, Y. Xin, X. Xu, S. Zhu, N. Gorin, G. Grundmeier, C. Möser, D.M. Smith, A. Keller, Molecules 24 (2019) 2577.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 22655
Real-Time Observation of Superstructure-Dependent DNA Origami Digestion by DNase I Using High-Speed Atomic Force Microscopy.
S. Ramakrishnan, B. Shen, M. Kostiainen, G. Grundmeier, A. Keller, V. Linko, ChemBioChem 20 (2019) 2818–2823.
LibreCat | DOI | PubMed | Europe PMC
 

2019 | Journal Article | LibreCat-ID: 22656
DNA origami directed 3D nanoparticle superlattice via electrostatic assembly.
S. Julin, A. Korpi, B. Shen, V. Liljeström, O. Ikkala, A. Keller, V. Linko, M. Kostiainen, Nanoscale 11 (2019) 4546–4551.
LibreCat | DOI | PubMed | Europe PMC
 

2019 | Journal Article | LibreCat-ID: 22657
Effect of Terminal Modifications on the Adsorption and Assembly of hIAPP(20–29)
R. Hajiraissi, M. Hanke, A. Gonzalez Orive, B. Duderija, U. Hofmann, Y. Zhang, G. Grundmeier, A. Keller, ACS Omega 4 (2019) 2649–2660.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 22687
Spray coating of poly(acrylic acid)/ZnO tetrapod adhesion promoting nanocomposite films for polymer laminates
D. Meinderink, K.J.R. Nolkemper, J. Bürger, A.G. Orive, J.K.N. Lindner, G. Grundmeier, Surface and Coatings Technology (2019) 112–122.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 15738
Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface
T. Ohto, M. Dodia, J. Xu, S. Imoto, F. Tang, F. Zysk, T.D. Kühne, Y. Shigeta, M. Bonn, X. Wu, Y. Nagata, The Journal of Physical Chemistry Letters 10 (2019) 4914–4919.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 15739
Unconventional phase III of high-pressure solid hydrogen
S. Azadi, T.D. Kühne, Physical Review B 100 (2019) 155103–5.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 15740
Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations
M. Guc, T. Kodalle, R. Kormath Madam Raghupathy, H. Mirhosseini, T.D. Kühne, I. Becerril-Romero, A. Pérez-Rodríguez, C.A. Kaufmann, V. Izquierdo-Roca, The Journal of Physical Chemistry C 124 (2019) 1285–1291.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 16314
Gold(II) Porphyrins in Photoinduced Electron Transfer Reactions
S. Preiß, A. Päpcke, L. Burkhardt, L. Großmann, S. Lochbrunner, M. Bauer, T. Opatz, K. Heinze, Chemistry – A European Journal (2019) 5940–5949.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 16320
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, The Journal of Physical Chemistry A (2019) 3575–3581.
LibreCat | DOI
 

2019 | Dissertation | LibreCat-ID: 16325
Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]
L. Burkhardt,   Probing Iron-Ligand Interactions by Combining Modern High-Resolution Hard X-Ray Spectroscopy and Density Functional Theory : A Powerful Methodology in Cases Where Conventional Methods Fail / Vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)], Paderborn, 2019.
LibreCat | DOI | Download (ext.)
 

2019 | Dissertation | LibreCat-ID: 16327
Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]
P. Müller,   Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt], Paderborn, 2019.
LibreCat | DOI | Download (ext.)
 

2019 | Journal Article | LibreCat-ID: 13211
Properties of Co-Evaporated RbInSe2 Thin Films
T. Kodalle, R. Kormath Madam Raghupathy, T. Bertram, N. Maticiuc, H.A. Yetkin, R. Gunder, R. Schlatmann, T.D. Kühne, C.A. Kaufmann, H. Mirhosseini, Physica Status Solidi (RRL)--Rapid Research Letters 13 (2019) 1800564.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 13225
Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O
T. Clark, J.J. Heske, T. Kühne, ChemPhysChem 20 (2019) 1–6.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 13232
Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface
N.K. Kaliannan, A. Henao Aristizabal, H. Wiebeler, F. Zysk, T. Ohto, Y. Nagata, T. D. Kühne, Molecular Physics 0 (2019) 1–10.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 13233
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, The Journal of Physical Chemistry A 123 (2019) 3575–3581.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 13236
Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design
R. Walczak, A. Savateev, J.J. Heske, N.V. Tarakina, S. Sahoo, J.D. Epping, T. Kühne, B. Kurpil, M. Antonietti, M. Oschatz, Sustainable Energy Fuels (2019).
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 13237
Enhancement of the asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse
H. Elgabarty, N.K. Kaliannan, T.D. Kühne, Scientific Reports 9 (2019) 10002.
LibreCat | DOI
 
 

2019 | Journal Article | LibreCat-ID: 30929
Dually Cross‐Linked Supramolecular Hydrogel as Surface Plasmon Resonance Sensor for Small Molecule Detection
J. Li, C. Ji, X. Yu, M. Yin, D. Kuckling, Macromolecular Rapid Communications 40 (2019).
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 30927
Thermoresponsive Catechol Based-Polyelectrolyte Complex Coatings for Controlled Release of Bortezomib
B. Reis, D. Vehlow, T. Rust, D. Kuckling, M. Müller, International Journal of Molecular Science 20 (2019).
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 30928
Azlactone-functionalized smart block copolymers for organocatalyst immobilization
X. Yu, A. Herberg, D. Kuckling, European Polymer Journal 120 (2019).
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 30934
In vitro evaluation of innovative light-responsive nanoparticles for controlled drug release in intestinal PDT
L. Mahlert, J. Anderski, T. Schoppa, D. Mulac, J. Sun, D. Kuckling, K. Langer, International Journal of Pharmaceutics 565 (2019) 199–208.
LibreCat | DOI
 

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