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1252 Publications
2021 | Journal Article | LibreCat-ID: 33645
Ojha, Deepak, and Thomas Kühne. “Hydrogen Bond Dynamics of Interfacial Water Molecules Revealed from Two-Dimensional Vibrational Sum-Frequency Generation Spectroscopy.” Scientific Reports 11, no. 1 (2021). https://doi.org/10.1038/s41598-021-81635-4.
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2021 | Journal Article | LibreCat-ID: 33644
Pylaeva, Svetlana, Patrick Marx, Gurjot Singh, Thomas Kühne, Michael Roemelt, and Hossam Elgabarty. “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids.” The Journal of Physical Chemistry A 125, no. 3 (2021): 867–74. https://doi.org/10.1021/acs.jpca.0c11296.
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2021 | Journal Article | LibreCat-ID: 33649
Kessler, Jan, Francesco Calcavecchia, and Thomas Kühne. “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo.” Advanced Theory and Simulations 4, no. 4 (2021). https://doi.org/10.1002/adts.202000269.
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2021 | Journal Article | LibreCat-ID: 33648
Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” The Journal of Chemical Physics 154, no. 7 (2021). https://doi.org/10.1063/5.0037319.
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2021 | Journal Article | LibreCat-ID: 33655
Chugh, Manjusha, Mitisha Jain, Gang Wang, Ali Shaygan Nia, Hossein Mirhosseini, and Thomas Kühne. “A Combinatorial Study of Electrochemical Anion Intercalation into Graphite.” Materials Research Express 8, no. 8 (2021). https://doi.org/10.1088/2053-1591/ac1965.
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2021 | Journal Article | LibreCat-ID: 33658
Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase.” Micromachines 12, no. 10 (2021). https://doi.org/10.3390/mi12101212.
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2021 | Journal Article | LibreCat-ID: 33651
Sahoo, Sudhir K., Ivo F. Teixeira, Aakash Naik, Julian Joachim Heske, Daniel Cruz, Markus Antonietti, Aleksandr Savateev, and Thomas Kühne. “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” The Journal of Physical Chemistry C 125, no. 25 (2021): 13749–58. https://doi.org/10.1021/acs.jpcc.1c03947.
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2021 | Journal Article | LibreCat-ID: 33657
Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi, and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” Computational Materials Science 197 (2021). https://doi.org/10.1016/j.commatsci.2021.110567.
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2021 | Conference Paper | LibreCat-ID: 33654
Balos, Vasileios, Hossam Elgabarty, Martin Wolf, Thomas Kühne, Roland Netz, Douwe Jan Bonthuis, Naveen Kaliannan, Philip Loche, Tobias Kampfrath, and Mohsen Sajadi. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute Energy Transfer Driven by Single-Cycle THz Electric Fields.” In Terahertz Emitters, Receivers, and Applications XII, edited by Manijeh Razeghi and Alexei N. Baranov. SPIE, 2021. https://doi.org/10.1117/12.2594143.
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2021 | Journal Article | LibreCat-ID: 33656
Wang, Mengying, Ahmad Ranjbar, Thomas Kühne, Rodion V. Belosludov, Yoshiyuki Kawazoe, and Yunye Liang. “A Theoretical Investigation of Topological Phase Modulation in Carbide MXenes: Role of Image Potential States.” Carbon 181 (2021): 370–78. https://doi.org/10.1016/j.carbon.2021.05.026.
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2021 | Journal Article | LibreCat-ID: 33659
Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” Journal of Physics: Materials 5, no. 1 (2021). https://doi.org/10.1088/2515-7639/ac363d.
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2021 | Journal Article | LibreCat-ID: 33681
Silva, Marcos A.R. da, Ingrid F. Silva, Qi Xue, Benedict T.W. Lo, Nadezda V. Tarakina, Barbara N. Nunes, Peter Adler, et al. “Sustainable Oxidation Catalysis Supported by Light: Fe-Poly (Heptazine Imide) as a Heterogeneous Single-Atom Photocatalyst.” Applied Catalysis B: Environmental 304 (2021). https://doi.org/10.1016/j.apcatb.2021.120965.
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2021 | Journal Article | LibreCat-ID: 33675
Mai, Lukas, Dina Maniar, Frederik Zysk, Judith Schöbel, Thomas Kühne, Katja Loos, and Anjana Devi. “Influence of Different Ester Side Groups in Polymers on the Vapor Phase Infiltration with Trimethyl Aluminum.” Dalton Transactions 51, no. 4 (2021): 1384–94. https://doi.org/10.1039/d1dt03753f.
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2021 | Journal Article | LibreCat-ID: 35327
Wortmann, Martin, Klaus Viertel, Alexander Welle, Waldemar Keil, Natalie Frese, Wiebke Hachmann, Philipp Krieger, et al. “Anomalous Bulk Diffusion of Methylene Diphenyl Diisocyanate in Silicone Elastomer.” International Journal of Heat and Mass Transfer 177 (2021). https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536.
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2021 | Journal Article | LibreCat-ID: 29189
Rogge, Tim, Christoph Vogelsang, and Pascal Pollmeier. “Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien.” Seminar 4 (2021): 91–105.
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2021 | Book Chapter | LibreCat-ID: 27071
Pollmeier, Pascal, and Sabine Fechner. “Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten.” In Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, edited by Carina Caruso, Christian Harteis, and Alexander Gröschner. Wiesbaden: Springer Fachmedien, 2021. https://doi.org/10.1007/978-3-658-32568-8_16.
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2021 | Book Chapter | LibreCat-ID: 23733
Pollmeier, Pascal, and Sabine Fechner. “Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht.” In Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, edited by Marcus Kubsch, Stefan Sorge, Julia Arnold, and Nicole Graulich, 150–54. Waxmann, 2021. https://doi.org/10.31244/9783830993490.
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2021 | Journal Article | LibreCat-ID: 22538
Arcos de Pedro, Maria Teresa de los, Hendrik Müller, Fuzeng Wang, Varun Raj Damerla, Christian Hoppe, Christian Weinberger, Michael Tiemann, and Guido Grundmeier. “Review of Infrared Spectroscopy Techniques for the Determination of Internal Structure in Thin SiO2 Films.” Vibrational Spectroscopy, 2021. https://doi.org/10.1016/j.vibspec.2021.103256.
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2021 | Journal Article | LibreCat-ID: 22539
Bobzin, K., C. Kalscheuer, G. Grundmeier, Maria Teresa de los Arcos de Pedro, S. Schwiderek, and M. Carlet. “Design of a TiAlON Multilayer Coating: Oxidation Stability and Deformation Behavior.” Surface and Coatings Technology, 2021. https://doi.org/10.1016/j.surfcoat.2021.127417.
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2021 | Journal Article | LibreCat-ID: 22535
Knust, Steffen, Lukas Ruhm, Andreas Kuhlmann, Dennis Meinderink, Julius Bürger, Jörg K. N. Lindner, Maria Teresa de los Arcos de Pedro, and Guido Grundmeier. “In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods in an Atmospheric‐pressure Dielectric Barrier Discharge Plasma.” Journal of Raman Spectroscopy, 2021, 1237–45. https://doi.org/10.1002/jrs.6123.
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2021 | Journal Article | LibreCat-ID: 37946
Werner, Thomas, Aiga Grandane, Linda Pudnika, Ilona Domraceva, and Raivis Zalubovskis. “Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones.” Synthesis 53, no. 19 (2021): 3545–54. https://doi.org/10.1055/a-1509-6078.
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2021 | Journal Article | LibreCat-ID: 37947
Paradies, Jan, Jennifer Andexer, Uwe Beifuss, Florian Beuerle, Malte Brasholz, Rolf Breinbauer, Martin Ernst, et al. “Organische Chemie.” Nachrichten Aus Der Chemie 69, no. 3 (2021): 38–68. https://doi.org/10.1002/nadc.20214105947.
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2021 | Journal Article | LibreCat-ID: 37944
Liu, Xin, and Thomas Werner. “Indirect Reduction of CO2 and Recycling of Polymers by Manganese-Catalyzed Transfer Hydrogenation of Amides, Carbamates, Urea Derivatives, and Polyurethanes.” Chemical Science 12, no. 31 (2021): 10590–97. https://doi.org/10.1039/d1sc02663a.
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2021 | Journal Article | LibreCat-ID: 37945
Tönjes, Jan, Lars Longwitz, and Thomas Werner. “Poly(Methylhydrosiloxane) as a Reductant in the Catalytic Base-Free Wittig Reaction.” Green Chemistry 23, no. 13 (2021): 4852–57. https://doi.org/10.1039/d1gc00953b.
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2021 | Journal Article | LibreCat-ID: 37943
Wirth, Marisa A., Lars Longwitz, Marion Kanwischer, Peter Gros, Peter Leinweber, and Thomas Werner. “AMPA-15N – Synthesis and Application as Standard Compound in Traceable Degradation Studies of Glyphosate.” Ecotoxicology and Environmental Safety 225 (2021). https://doi.org/10.1016/j.ecoenv.2021.112768.
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2021 | Dissertation | LibreCat-ID: 41006
Schlicher, Steffen. Iron Oxide Catalysts for CO Oxidation : From Basic Structure-Activity-Correlation to an Advanced Preparation Strategy for Highly Active Catalysts, 2021. https://doi.org/10.17619/UNIPB/1-1089.
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2021 | Journal Article | LibreCat-ID: 41002
Nguyen, Hoang-Huy, Zheng Li, Toni Enenkel, Joachim Hildebrand, Matthias Bauer, Michael Dyballa, and Deven P. Estes. “Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation.” The Journal of Physical Chemistry C 125, no. 27 (2021): 14627–35. https://doi.org/10.1021/acs.jpcc.1c02074.
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2021 | Journal Article | LibreCat-ID: 40998
Emmerling, Sebastian T., Felix Ziegler, Felix R. Fischer, Roland Schoch, Matthias Bauer, Bernd Plietker, Michael R. Buchmeiser, and Bettina V. Lotsch. “Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity.” Chemistry – A European Journal 28, no. 8 (2021). https://doi.org/10.1002/chem.202104108.
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2021 | Journal Article | LibreCat-ID: 41003
Reuter, Thomas, Ayla Kruse, Roland Schoch, Stefan Lochbrunner, Matthias Bauer, and Katja Heinze. “Higher MLCT Lifetime of Carbene Iron(<scp>ii</Scp>) Complexes by Chelate Ring Expansion.” Chemical Communications 57, no. 61 (2021): 7541–44. https://doi.org/10.1039/d1cc02173g.
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2021 | Journal Article | LibreCat-ID: 40997
Dierks, Philipp, Yannik Vukadinovic, and Matthias Bauer. “Photoactive Iron Complexes: More Sustainable, but Still a Challenge.” Inorganic Chemistry Frontiers 9, no. 2 (2021): 206–20. https://doi.org/10.1039/d1qi01112j.
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2021 | Journal Article | LibreCat-ID: 41000
Ghosh, Pradip, Roland Schoch, Matthias Bauer, and Axel Jacobi von Wangelin. “Selective Benzylic CH‐Borylations by Tandem Cobalt Catalysis.” Angewandte Chemie International Edition 61, no. 1 (2021). https://doi.org/10.1002/anie.202110821.
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2021 | Journal Article | LibreCat-ID: 41013
Wissel, Kerstin, Roland Schoch, Tobias Vogel, Manuel Donzelli, Galina Matveeva, Ute Kolb, Matthias Bauer, Peter R. Slater, and Oliver Clemens. “Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion Batteries.” Chemistry of Materials 33, no. 2 (2021): 499–512. https://doi.org/10.1021/acs.chemmater.0c01762.
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2021 | Journal Article | LibreCat-ID: 41010
Watt, Fabian A., Lukas Burkhardt, Roland Schoch, Stefan Mitzinger, Matthias Bauer, Florian Weigend, Jose M. Goicoechea, Frank Tambornino, and Stephan Hohloch. “η 3 ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**.” Angewandte Chemie International Edition 60, no. 17 (2021): 9534–39. https://doi.org/10.1002/anie.202100559.
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2021 | Journal Article | LibreCat-ID: 41012
Winkler, Mario, Marc Schnierle, Felix Ehrlich, Kim-Isabelle Mehnert, David Hunger, Alena M. Sheveleva, Lukas Burkhardt, et al. “Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(Dppf)Fe(CO) 3]+/0.” Inorganic Chemistry 60, no. 5 (2021): 2856–65. https://doi.org/10.1021/acs.inorgchem.0c03259.
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2021 | Journal Article | LibreCat-ID: 41011
Chakraborty, Uttam, Patrick Bügel, Lorena Fritsch, Florian Weigend, Matthias Bauer, and Axel Jacobi von Wangelin. “Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical Insights into Structures and Building Principles.” ChemistryOpen 10, no. 2 (2021): 265–71. https://doi.org/10.1002/open.202000307.
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2021 | Journal Article | LibreCat-ID: 35326
Keil, Waldemar, Kai Zhao, Arthur Oswald, Wolfgang Bremser, Claudia Schmidt, and Horst Hintze-Bruening. “Thermostable Water Reservoirs in the Interlayer Space of a Sodium Hectorite Clay through the Intercalation of γ-Aminopropyl(Dimethyl)Ethoxysilane in Toluene.” Physical Chemistry Chemical Physics 24, no. 1 (2021): 477–87. https://doi.org/10.1039/d1cp03321b.
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2021 | Journal Article | LibreCat-ID: 41817
Hämisch, Benjamin, and Klaus Huber. “Mechanism and Equilibrium Thermodynamics of H- and J-Aggregate Formation from Pseudo Isocyanine Chloride in Water.” Soft Matter 17, no. 35 (2021): 8140–52. https://doi.org/10.1039/d1sm00979f.
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2021 | Journal Article | LibreCat-ID: 41818
Hense, Dominik, Anne Büngeler, Fabian Kollmann, Marcel Hanke, Alejandro Orive, Adrian Keller, Guido Grundmeier, Klaus Huber, and Oliver I. Strube. “Self-Assembled Fibrinogen Hydro- and Aerogels with Fibrin-like 3D Structures.” Biomacromolecules 22, no. 10 (2021): 4084–94. https://doi.org/10.1021/acs.biomac.1c00489.
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2021 | Journal Article | LibreCat-ID: 41816
Wagner, Maximilian, Anja Krieger, Martin Minameyer, Benjamin Hämisch, Klaus Huber, Thomas Drewello, and Franziska Gröhn. “Multiresponsive Polymer Nanoparticles Based on Disulfide Bonds.” Macromolecules 54, no. 6 (2021): 2899–2911. https://doi.org/10.1021/acs.macromol.1c00299.
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2021 | Journal Article | LibreCat-ID: 41815
Hämisch, Benjamin, Roland Pollak, Simon Ebbinghaus, and Klaus Huber. “Thermodynamic Analysis of the Self‐Assembly of Pseudo Isocyanine Chloride in the Presence of Crowding Agents.” ChemSystemsChem 3, no. 3 (2021). https://doi.org/10.1002/syst.202000051.
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2021 | Journal Article | LibreCat-ID: 25894
Schwind, Bertram, Jan-Henrik Smått, Michael Tiemann, and Christian Weinberger. “Modeling of Gyroidal Mesoporous CMK-8 and CMK-9 Carbon Nanostructures and Their X-Ray Diffraction Patterns.” Microporous and Mesoporous Materials, 2021. https://doi.org/10.1016/j.micromeso.2020.110330.
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2021 | Journal Article | LibreCat-ID: 25897
Arcos, Teresa de los, Hendrik Müller, Fuzeng Wang, Varun Raj Damerla, Christian Hoppe, Christian Weinberger, Michael Tiemann, and Guido Grundmeier. “Review of Infrared Spectroscopy Techniques for the Determination of Internal Structure in Thin SiO2 Films.” Vibrational Spectroscopy, 2021. https://doi.org/10.1016/j.vibspec.2021.103256.
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2021 | Journal Article | LibreCat-ID: 25893 | 
Tiemann, Michael, and Christian Weinberger. “Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials.” Advanced Materials Interfaces, 2021. https://doi.org/10.1002/admi.202001153.
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2021 | Journal Article | LibreCat-ID: 25896
Tischendorf, R., M. Simmler, Christian Weinberger, M. Bieber, M. Reddemann, F. Fröde, J. Lindner, et al. “Examination of the Evolution of Iron Oxide Nanoparticles in Flame Spray Pyrolysis by Tailored in Situ Particle Sampling Techniques.” Journal of Aerosol Science, 2021. https://doi.org/10.1016/j.jaerosci.2020.105722.
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2021 | Journal Article | LibreCat-ID: 22635
Garcia Diosa, Jaime Andres, Alejandro Gonzalez Orive, Christian Weinberger, Sabrina Schwiderek, Steffen Knust, Michael Tiemann, Guido Grundmeier, Adrian Keller, and Ruben Jesus Camargo Amado. “TiO2 Nanoparticle Coatings on Glass Surfaces for the Selective Trapping of Leukemia Cells from Peripheral Blood.” Journal of Biomedical Materials Research Part B: Applied Biomaterials 109 (2021): 2142–2153. https://doi.org/10.1002/jbm.b.34862.
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2021 | Journal Article | LibreCat-ID: 25892
Steinke, Felix, Ali Javed, Stephan Wöhlbrandt, Michael Tiemann, and Norbert Stock. “New Isoreticular Phosphonate MOFs Based on a Tetratopic Linker.” Dalton Transactions, 2021, 13572–79. https://doi.org/10.1039/d1dt02610k.
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2021 | Journal Article | LibreCat-ID: 39653
Wiebeler, Christian, Joachim Vollbrecht, Adam Neuba, Heinz-Siegfried Kitzerow, and Stefan Schumacher. “Unraveling the Electrochemical and Spectroscopic Properties of Neutral and Negatively Charged Perylene Tetraethylesters.” Scientific Reports 11, no. 1 (2021). https://doi.org/10.1038/s41598-021-95551-0.
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2021 | Journal Article | LibreCat-ID: 45001
Roos, E., and Martin Brehm. “A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures.” Phys. Chem. Chem. Phys. 23 (2021): 1242–53. https://doi.org/10.1039/D0CP04537C.
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2021 | Journal Article | LibreCat-ID: 45004
Brehm, Martin, and M. Thomas. “Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations.” Molecules 26 (7) (2021): 1875. https://doi.org/10.3390/molecules26071875.
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2021 | Journal Article | LibreCat-ID: 45005
Roy, S., Martin Brehm, S. Sharma, F. Wu, D. Maltsev, P. Halstenberg, L. Gallington, et al. “Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy, and Ab Initio Molecular Dynamics.” J. Phys. Chem. B 125 (22) (2021): 5971–82. https://doi.org/10.1021/acs.jpcb.1c03786.
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2021 | Journal Article | LibreCat-ID: 45006
Triolo, A., M. E. Di Pietro, A. Mele, F. Lo Celso, Martin Brehm, V. Di Lisio, A. Martinelli, P. Chater, and O. Russina. “Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent.” J. Chem. Phys. 154 (2021): 244501. https://doi.org/10.1063/5.0054048.
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2021 | Journal Article | LibreCat-ID: 45003
Codescu, M.-A., M. Weiß, Martin Brehm, O. Kornilov, D. Sebastiani, and E. T. J. Nibbering. “Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate.” J. Phys. Chem. A 125 (9) (2021): 1845–59. https://doi.org/10.1021/acs.jpca.0c10191.
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2021 | Journal Article | LibreCat-ID: 45000
Mukherjee, M., D. Tripathi, Martin Brehm, C. Riplinger, and A. K. Dutta. “Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study.” J. Chem. Theory Comput. 17 (1) (2021): 105–16. https://doi.org/10.1021/acs.jctc.0c00655.
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2021 | Journal Article | LibreCat-ID: 45002
Triolo, A., F. Lo Celso, Martin Brehm, V. Di Lisio, and O. Russina. “Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization.” J. Mol. Liq. 331 (2021): 115750. https://doi.org/10.1016/j.molliq.2021.115750.
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2021 | Journal Article | LibreCat-ID: 24566 |
Engelkemeier, Katja, Aijia Sun, Dietrich Voswinkel, Olexandr Grydin, Mirko Schaper, and Wolfgang Bremser. “Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte.” ChemElectroChem, 2021, 2155–68. https://doi.org/10.1002/celc.202100216.
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2021 | Conference Paper | LibreCat-ID: 33545
Elsner, Julia, Claudia Tenberge, and Sabine Fechner. “Unterstützung des Modellierungsprozesses durch Analogiebildung im Sachunterricht.” In Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, edited by Sebastian Habig, 41:609–12, 2021.
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2021 | Journal Article | LibreCat-ID: 41007
Dierks, Philipp, Ayla Kruse, Olga S. Bokareva, Mohammed J. Al-Marri, Jens Kalmbach, Marc Baltrun, Adam Neuba, et al. “Distinct Photodynamics of κ-N and κ-C Pseudoisomeric Iron(<scp>ii</Scp>) Complexes.” Chemical Communications 57, no. 54 (2021): 6640–43. https://doi.org/10.1039/d1cc01716k.
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2021 | Book Chapter | LibreCat-ID: 29936
Ramaswami, Arjun, Tobias Kenter, Thomas Kühne, and Christian Plessl. “Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing.” In Applied Reconfigurable Computing. Architectures, Tools, and Applications. Cham: Springer International Publishing, 2021. https://doi.org/10.1007/978-3-030-79025-7_21.
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2021 | Journal Article | LibreCat-ID: 41001
Ziegler, Felix, Hamzeh Kraus, Mathis J. Benedikter, Dongren Wang, Johanna R. Bruckner, Michał Nowakowski, Kilian Weißer, et al. “Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.” ACS Catalysis 11, no. 18 (2021): 11570–78. https://doi.org/10.1021/acscatal.1c03057.
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2021 | Journal Article | LibreCat-ID: 40999
Panyam, Pradeep K. R., Boshra Atwi, Felix Ziegler, Wolfgang Frey, Michał Nowakowski, Matthias Bauer, and Michael R. Buchmeiser. “Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio‐ and Stereoselectivity in the Hydrosilylation of Alkynes.” Chemistry – A European Journal 27, no. 68 (2021): 17220–29. https://doi.org/10.1002/chem.202103099.
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2021 | Journal Article | LibreCat-ID: 41009
Maier, Sarah, Steve P. Cronin, Manh-Anh Vu Dinh, Zheng Li, Michael Dyballa, Michał Nowakowski, Matthias Bauer, and Deven P. Estes. “Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations.” Organometallics 40, no. 11 (2021): 1751–57. https://doi.org/10.1021/acs.organomet.1c00216.
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2021 | Journal Article | LibreCat-ID: 30216
Huber-Gedert, Marina, Michał Nowakowski, Ahmet Kertmen, Lukas Burkhardt, Natalia Lindner, Roland Schoch, Regine Herbst‐Irmer, et al. “Fundamental Characterization, Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad.” Chemistry – A European Journal 27, no. 38 (2021): 9905–18. https://doi.org/10.1002/chem.202100766.
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2020 | Journal Article | LibreCat-ID: 25301
Scherer, Beate, Ingo Leonard Kottenstedde, Wolfgang Bremser, and Frank-Michael Matysik. “Analytical Characterization of Polyamide 11 Used in the Context of Selective Laser Sintering: Physico-Chemical Correlations.” Polymer Testing, 2020. https://doi.org/10.1016/j.polymertesting.2020.106786.
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2020 | Journal Article | LibreCat-ID: 19679
Ojha, Deepak, and Thomas D. Kühne. “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface.” Molecules 25 (2020). https://doi.org/10.3390/molecules25173939.
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2020 | Journal Article | LibreCat-ID: 19680
Kühne, Thomas, Julian Joachim Heske, and Emil Prodan. “Disordered Crystals from First Principles II: Transport Coefficients.” Annals of Physics 421 (2020): 168290. https://doi.org/10.1016/j.aop.2020.168290.
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2020 | Journal Article | LibreCat-ID: 19681
Salem, M. Alaraby, and Thomas D. Kühne. “Insight from Energy Decomposition Analysis on a Hydrogen-Bond-Mediated Mechanism for on-Water Catalysis.” Molecular Physics, 2020, 1–6. https://doi.org/10.1080/00268976.2020.1797920.
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2020 | Journal Article | LibreCat-ID: 19823
Elizabeth, Amala, Hauke Conradi, Sudhir K. Sahoo, Tim Kodalle, Christian A. Kaufmann, Thomas Kühne, Hossein Mirhosseini, Daniel Abou-Ras, and Harry Mönig. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” Acta Materialia 200 (2020). https://doi.org/10.1016/j.actamat.2020.09.028.
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2020 | Journal Article | LibreCat-ID: 21239
Sahoo, Sudhir K., Julian Joachim Heske, Markus Antonietti, Qing Qin, Martin Oschatz, and Thomas Kühne. “Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.” ACS Applied Energy Materials 3, no. 10 (2020): 10061–69. https://doi.org/10.1021/acsaem.0c01740.
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2020 | Journal Article | LibreCat-ID: 17375
Zhou, Jiaqi, Mohammad Khazaei, Ahmad Ranjbar, Vei Wang, Thomas D. Kühne, Kaoru Ohno, Yoshiyuki Kawazoe, and Yunye Liang. “Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study.” J. Mater. Chem. C 8 (2020): 5211–21. https://doi.org/10.1039/C9TC06837F.
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2020 | Journal Article | LibreCat-ID: 17379
Kumar Sahoo, Sudhir , Julian Joachim Heske, Sam Azadi, Zhenzhe Zhang, Nadezda V Tarakina, Martin Oschatz, Rustam Z. Khaliullin, Markus Antonietti, and Thomas Kühne. “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials.” Scientific Reports 10, no. 1 (2020). https://doi.org/10.1038/s41598-020-62638-z.
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2020 | Journal Article | LibreCat-ID: 17381
Elgabarty, Hossam, Tobias Kampfrath, Douwe Jan Bonthuis, Vasileios Balos, Naveen Kumar Kaliannan, Philip Loche, Roland R. Netz, Martin Wolf, Thomas D. K{\, and Mohsen Sajadi. “Energy Transfer within the Hydrogen Bonding Network of Water Following Resonant Terahertz Excitation.” Science Advances 6, no. 17 (2020). https://doi.org/10.1126/sciadv.aay7074.
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2020 | Journal Article | LibreCat-ID: 17386
Kühne, Thomas D., Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020): 194103. https://doi.org/10.1063/5.0007045.
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2020 | Journal Article | LibreCat-ID: 23599
Savikhin, Victoria, Hans-Georg Steinrück, Ru-Ze Liang, Brian A. Collins, Stefan D. Oosterhout, Pierre M. Beaujuge, and Michael F. Toney. “GIWAXS-SIIRkit: Scattering Intensity, Indexing and Refraction Calculation Toolkit for Grazing-Incidence Wide-Angle X-Ray Scattering of Organic Materials.” Journal of Applied Crystallography 53 (2020): 1108–29. https://doi.org/10.1107/s1600576720005476.
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2020 | Journal Article | LibreCat-ID: 23600
Gebers, Jan, Bilal Özen, Lucia Hartmann, Michel Schaer, Stéphane Suàrez, Philippe Bugnon, Rosario Scopelliti, et al. “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene.” Chemistry – A European Journal 26 (2020): 10265–75. https://doi.org/10.1002/chem.201904562.
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2020 | Journal Article | LibreCat-ID: 23601
Abdelsamie, Maged, Junwei Xu, Karsten Bruening, Christopher J. Tassone, Hans-Georg Steinrück, and Michael F. Toney. “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation.” Advanced Functional Materials 30 (2020): 2001752. https://doi.org/10.1002/adfm.202001752.
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2020 | Journal Article | LibreCat-ID: 23602
Tanim, Tanvir R., Partha P. Paul, Vivek Thampy, Chuntian Cao, Hans-Georg Steinrück, Johanna Nelson Weker, Michael F. Toney, et al. “Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging.” Cell Reports Physical Science 1 (2020): 100114. https://doi.org/10.1016/j.xcrp.2020.100114.
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2020 | Journal Article | LibreCat-ID: 23603
Bone, Sharon E., Hans-Georg Steinrück, and Michael F. Toney. “Advanced Characterization in Clean Water Technologies.” Joule 4 (2020): 1637–59. https://doi.org/10.1016/j.joule.2020.06.020.
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2020 | Journal Article | LibreCat-ID: 23604
Kasse, Robert M., Natalie R. Geise, Jesse S. Ko, Johanna Nelson Weker, Hans-Georg Steinrück, and Michael F. Toney. “Understanding Additive Controlled Lithium Morphology in Lithium Metal Batteries.” Journal of Materials Chemistry A 8 (2020): 16960–72. https://doi.org/10.1039/d0ta06020h.
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2020 | Journal Article | LibreCat-ID: 23605
Paulsen, Bryan D., Ruiheng Wu, Christopher J. Takacs, Hans-Georg Steinrück, Joseph Strzalka, Qingteng Zhang, Michael F. Toney, and Jonathan Rivnay. “Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor.” Advanced Materials 32 (2020): 2003404. https://doi.org/10.1002/adma.202003404.
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2020 | Journal Article | LibreCat-ID: 23606
Steinrück, Hans-Georg, Chuntian Cao, Maria R. Lukatskaya, Christopher J. Takacs, Gang Wan, David G. Mackanic, Yuchi Tsao, et al. “Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces.” Angewandte Chemie International Edition 59 (2020): 23180–87. https://doi.org/10.1002/anie.202007745.
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2020 | Journal Article | LibreCat-ID: 23607
Steinrück, Hans-Georg, Christopher J. Takacs, Hong-Keun Kim, David G. Mackanic, Benjamin Holladay, Chuntian Cao, Suresh Narayanan, et al. “Concentration and Velocity Profiles in a Polymeric Lithium-Ion Battery Electrolyte.” Energy & Environmental Science 13 (2020): 4312–21. https://doi.org/10.1039/d0ee02193h.
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2020 | Journal Article | LibreCat-ID: 23608
Prihoda, Annemarie, Johannes Will, Patrick Duchstein, Bahanur Becit, Felix Lossin, Torben Schindler, Marvin Berlinghof, et al. “Interface between Water–Solvent Mixtures and a Hydrophobic Surface.” Langmuir 36 (2020): 12077–86. https://doi.org/10.1021/acs.langmuir.0c02745.
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2020 | Journal Article | LibreCat-ID: 23617
Chen, Hao, Allen Pei, Jiayu Wan, Dingchang Lin, Rafael Vilá, Hongxia Wang, David Mackanic, et al. “Tortuosity Effects in Lithium-Metal Host Anodes.” Joule 4 (2020): 938–52. https://doi.org/10.1016/j.joule.2020.03.008.
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2020 | Journal Article | LibreCat-ID: 23618
Steinrück, Hans-Georg, Chuntian Cao, Gabriel M. Veith, and Michael F. Toney. “Toward Quantifying Capacity Losses Due to Solid Electrolyte Interphase Evolution in Silicon Thin Film Batteries.” The Journal of Chemical Physics 152 (2020): 084702. https://doi.org/10.1063/1.5142643.
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2020 | Journal Article | LibreCat-ID: 23747
Witte, Thomas, Stefan Hanemann, Herbert Sommerfeld, Katrin Temmen, and Sabine Fechner. “Selbstbau eines digitalen Low-Cost-Fotometers für den Chemieunterricht.” CHEMKON 27, no. 4 (2020): 193–98. https://doi.org/10.1002/ckon.201900026.
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2020 | Journal Article | LibreCat-ID: 18534
Vukadinovic, Yannik, Lukas Burkhardt, Ayla Päpcke, Anabel Miletic, Lorena Fritsch, Björn Altenburger, Roland Schoch, Adam Neuba, Stefan Lochbrunner, and Matthias Bauer. “When Donors Turn into Acceptors: Ground and Excited State Properties of FeII Complexes with Amine-Substituted Tridentate Bis-Imidazole-2-Ylidene Pyridine Ligands.” Inorganic Chemistry, 2020, 8762–74. https://doi.org/10.1021/acs.inorgchem.0c00393.
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2020 | Journal Article | LibreCat-ID: 22644
Hanke, Marcel, Alejandro Gonzalez Orive, Guido Grundmeier, and Adrian Keller. “Effect of DNA Origami Nanostructures on HIAPP Aggregation.” Nanomaterials 10 (2020): 2200. https://doi.org/10.3390/nano10112200.
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2020 | Journal Article | LibreCat-ID: 22645
Ramakrishnan, Saminathan, Sivaraman Subramaniam, Charlotte Kielar, Guido Grundmeier, A. Francis Stewart, and Adrian Keller. “Protein-Assisted Room-Temperature Assembly of Rigid, Immobile Holliday Junctions and Hierarchical DNA Nanostructures.” Molecules 25 (2020): 5099. https://doi.org/10.3390/molecules25215099.
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2020 | Journal Article | LibreCat-ID: 22646
Xin, Yang, Salvador Martinez Rivadeneira, Guido Grundmeier, Mario Castro, and Adrian Keller. “Self-Assembly of Highly Ordered DNA Origami Lattices at Solid-Liquid Interfaces by Controlling Cation Binding and Exchange.” Nano Research 13 (2020): 3142–50. https://doi.org/10.1007/s12274-020-2985-4.
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2020 | Journal Article | LibreCat-ID: 22647
Kielar, Charlotte, Siqi Zhu, Guido Grundmeier, and Adrian Keller. “Quantitative Assessment of Tip Effects in Single‐Molecule High‐Speed Atomic Force Microscopy Using DNA Origami Substrates.” Angewandte Chemie International Edition 59 (2020): 14336–41. https://doi.org/10.1002/anie.202005884.
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2020 | Journal Article | LibreCat-ID: 22648
Xin, Yang, Xueyin Ji, Guido Grundmeier, and Adrian Keller. “Dynamics of Lattice Defects in Mixed DNA Origami Monolayers.” Nanoscale 12 (2020): 9733–43. https://doi.org/10.1039/d0nr01252a.
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2020 | Journal Article | LibreCat-ID: 22649
Xin, Yang, Charlotte Kielar, Siqi Zhu, Christoph Sikeler, Xiaodan Xu, Christin Möser, Guido Grundmeier, et al. “Cryopreservation of DNA Origami Nanostructures.” Small 16 (2020): 1905959. https://doi.org/10.1002/smll.201905959.
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2020 | Journal Article | LibreCat-ID: 22650
Keller, Adrian, and Veikko Linko. “Challenges and Perspectives of DNA Nanostructures in Biomedicine.” Angewandte Chemie International Edition 59 (2020): 15818–33. https://doi.org/10.1002/anie.201916390.
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2020 | Journal Article | LibreCat-ID: 22651
Keller, Adrian, and Guido Grundmeier. “Amyloid Aggregation at Solid-Liquid Interfaces: Perspectives of Studies Using Model Surfaces.” Applied Surface Science 506 (2020): 144991. https://doi.org/10.1016/j.apsusc.2019.144991.
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2020 | Journal Article | LibreCat-ID: 22684
Huang, Jingyuan, Antonio Suma, Meiying Cui, Guido Grundmeier, Vincenzo Carnevale, Yixin Zhang, Charlotte Kielar, and Adrian Keller. “Arranging Small Molecules with Subnanometer Precision on DNA Origami Substrates for the Single‐Molecule Investigation of Protein–Ligand Interactions.” Small Structures 1 (2020): 2000038. https://doi.org/10.1002/sstr.202000038.
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2020 | Dissertation | LibreCat-ID: 22689
Meinderink, Dennis. Molecular Adhesion Science and Engineering of Nanostructured Poly(Acrylic Acid)/Metal Oxide Interfaces, 2020. https://doi.org/10.17619/UNIPB/1-1087.
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2020 | Journal Article | LibreCat-ID: 22696
Grothe, R., S. Knust, Dennis Meinderink, M. Voigt, A. González Orive, and Guido Grundmeier. “Spray Pyrolysis of Thin Adhesion-Promoting ZnO Films on ZnMgAl Coated Steel.” Surface and Coatings Technology, 2020. https://doi.org/10.1016/j.surfcoat.2020.125869.
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2020 | Journal Article | LibreCat-ID: 19844
Elizabeth, Amala, Sudhir K. Sahoo, David Lockhorn, Alexander Timmer, Nabi Aghdassi, Helmut Zacharias, Thomas Kühne, Susanne Siebentritt, Hossein Mirhosseini, and Harry Mönig. “ Oxidation/Reduction Cycles and Their Reversible Effect on the Dipole Formation at CuInSe2 Surfaces.” Phys. Rev. Materials 4 (2020): 063401. https://doi.org/10.1103/PhysRevMaterials.4.063401.
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2020 | Journal Article | LibreCat-ID: 21112
Mirhosseini, S. Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo, Hendrik Wiebeler, Manjusha Chugh, and Thomas Kühne. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.” Phys. Chem. Chem. Phys. 22 (2020): 26682–701. https://doi.org/10.1039/D0CP04712K.
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2020 | Journal Article | LibreCat-ID: 21240
Yu, Minghao, Naisa Chandrasekhar, Ramya Kormath Madam Raghupathy, Khoa Hoang Ly, Haozhe Zhang, Evgenia Dmitrieva, Chaolun Liang, et al. “A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices.” Journal of the American Chemical Society 142, no. 46 (2020): 19570–78. https://doi.org/10.1021/jacs.0c07992.
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