Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
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, vol. 11, no. 1, 2456, Springer Science and Business Media LLC, 2021, doi:10.1038/s41598-021-81635-4.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33644
Pylaeva, Svetlana, et al. “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids.” The Journal of Physical Chemistry A, vol. 125, no. 3, American Chemical Society (ACS), 2021, pp. 867–74, doi:10.1021/acs.jpca.0c11296.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33649
Kessler, Jan, et al. “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo.” Advanced Theory and Simulations, vol. 4, no. 4, 2000269, Wiley, 2021, doi:10.1002/adts.202000269.
LibreCat
| DOI
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, vol. 154, no. 7, 074107, AIP Publishing, 2021, doi:10.1063/5.0037319.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33655
Chugh, Manjusha, et al. “A Combinatorial Study of Electrochemical Anion Intercalation into Graphite.” Materials Research Express, vol. 8, no. 8, 085502, IOP Publishing, 2021, doi:10.1088/2053-1591/ac1965.
LibreCat
| DOI
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, vol. 12, no. 10, 1212, MDPI AG, 2021, doi:10.3390/mi12101212.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33651
Sahoo, Sudhir K., et al. “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” The Journal of Physical Chemistry C, vol. 125, no. 25, American Chemical Society (ACS), 2021, pp. 13749–58, doi:10.1021/acs.jpcc.1c03947.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33657
Mirhosseini, Hossein, et al. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” Computational Materials Science, vol. 197, 110567, Elsevier BV, 2021, doi:10.1016/j.commatsci.2021.110567.
LibreCat
| DOI
2021 | Conference Paper | LibreCat-ID: 33654
Balos, Vasileios, et al. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute Energy Transfer Driven by Single-Cycle THz Electric Fields.” Terahertz Emitters, Receivers, and Applications XII, edited by Manijeh Razeghi and Alexei N. Baranov, SPIE, 2021, doi:10.1117/12.2594143.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33656
Wang, Mengying, et al. “A Theoretical Investigation of Topological Phase Modulation in Carbide MXenes: Role of Image Potential States.” Carbon, vol. 181, Elsevier BV, 2021, pp. 370–78, doi:10.1016/j.carbon.2021.05.026.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33659
Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” Journal of Physics: Materials, vol. 5, no. 1, 015001, IOP Publishing, 2021, doi:10.1088/2515-7639/ac363d.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33681
da Silva, Marcos A. R., et al. “Sustainable Oxidation Catalysis Supported by Light: Fe-Poly (Heptazine Imide) as a Heterogeneous Single-Atom Photocatalyst.” Applied Catalysis B: Environmental, vol. 304, 120965, Elsevier BV, 2021, doi:10.1016/j.apcatb.2021.120965.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33675
Mai, Lukas, et al. “Influence of Different Ester Side Groups in Polymers on the Vapor Phase Infiltration with Trimethyl Aluminum.” Dalton Transactions, vol. 51, no. 4, Royal Society of Chemistry (RSC), 2021, pp. 1384–94, doi:10.1039/d1dt03753f.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 35327
Wortmann, Martin, et al. “Anomalous Bulk Diffusion of Methylene Diphenyl Diisocyanate in Silicone Elastomer.” International Journal of Heat and Mass Transfer, vol. 177, 121536, Elsevier BV, 2021, doi:10.1016/j.ijheatmasstransfer.2021.121536.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 29189
Rogge, Tim, et al. “Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien.” Seminar, vol. 4, 2021, pp. 91–105.
LibreCat
| Download (ext.)
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.” Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, edited by Carina Caruso et al., Springer Fachmedien, 2021, doi:10.1007/978-3-658-32568-8_16.
LibreCat
| DOI
2021 | Book Chapter | LibreCat-ID: 23733
Pollmeier, Pascal, and Sabine Fechner. “Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht.” Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, edited by Marcus Kubsch et al., Waxmann, 2021, pp. 150–54, doi:10.31244/9783830993490.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22538
de los Arcos de Pedro, Maria Teresa, et al. “Review of Infrared Spectroscopy Techniques for the Determination of Internal Structure in Thin SiO2 Films.” Vibrational Spectroscopy, 103256, 2021, doi:10.1016/j.vibspec.2021.103256.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22539
Bobzin, K., et al. “Design of a TiAlON Multilayer Coating: Oxidation Stability and Deformation Behavior.” Surface and Coatings Technology, 127417, 2021, doi:10.1016/j.surfcoat.2021.127417.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22535
Knust, Steffen, et al. “In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods in an Atmospheric‐pressure Dielectric Barrier Discharge Plasma.” Journal of Raman Spectroscopy, 2021, pp. 1237–45, doi:10.1002/jrs.6123.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 37946
Werner, Thomas, et al. “Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones.” Synthesis, vol. 53, no. 19, Georg Thieme Verlag KG, 2021, pp. 3545–54, doi:10.1055/a-1509-6078.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 37947
Paradies, Jan, et al. “Organische Chemie.” Nachrichten Aus Der Chemie, vol. 69, no. 3, Wiley, 2021, pp. 38–68, doi:10.1002/nadc.20214105947.
LibreCat
| DOI
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, vol. 12, no. 31, Royal Society of Chemistry (RSC), 2021, pp. 10590–97, doi:10.1039/d1sc02663a.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 37945
Tönjes, Jan, et al. “Poly(Methylhydrosiloxane) as a Reductant in the Catalytic Base-Free Wittig Reaction.” Green Chemistry, vol. 23, no. 13, Royal Society of Chemistry (RSC), 2021, pp. 4852–57, doi:10.1039/d1gc00953b.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 37943
Wirth, Marisa A., et al. “AMPA-15N – Synthesis and Application as Standard Compound in Traceable Degradation Studies of Glyphosate.” Ecotoxicology and Environmental Safety, vol. 225, 112768, Elsevier BV, 2021, doi:10.1016/j.ecoenv.2021.112768.
LibreCat
| DOI
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, doi:10.17619/UNIPB/1-1089.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41002
Nguyen, Hoang-Huy, et al. “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, vol. 125, no. 27, American Chemical Society (ACS), 2021, pp. 14627–35, doi:10.1021/acs.jpcc.1c02074.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40998
Emmerling, Sebastian T., et al. “Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity.” Chemistry – A European Journal, vol. 28, no. 8, Wiley, 2021, doi:10.1002/chem.202104108.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41003
Reuter, Thomas, et al. “Higher MLCT Lifetime of Carbene Iron(<scp>ii</Scp>) Complexes by Chelate Ring Expansion.” Chemical Communications, vol. 57, no. 61, Royal Society of Chemistry (RSC), 2021, pp. 7541–44, doi:10.1039/d1cc02173g.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40997
Dierks, Philipp, et al. “Photoactive Iron Complexes: More Sustainable, but Still a Challenge.” Inorganic Chemistry Frontiers, vol. 9, no. 2, Royal Society of Chemistry (RSC), 2021, pp. 206–20, doi:10.1039/d1qi01112j.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41000
Ghosh, Pradip, et al. “Selective Benzylic CH‐Borylations by Tandem Cobalt Catalysis.” Angewandte Chemie International Edition, vol. 61, no. 1, Wiley, 2021, doi:10.1002/anie.202110821.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41013
Wissel, Kerstin, et al. “Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion Batteries.” Chemistry of Materials, vol. 33, no. 2, American Chemical Society (ACS), 2021, pp. 499–512, doi:10.1021/acs.chemmater.0c01762.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41010
Watt, Fabian A., et al. “η 3 ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**.” Angewandte Chemie International Edition, vol. 60, no. 17, Wiley, 2021, pp. 9534–39, doi:10.1002/anie.202100559.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41012
Winkler, Mario, et al. “Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(Dppf)Fe(CO) 3]+/0.” Inorganic Chemistry, vol. 60, no. 5, American Chemical Society (ACS), 2021, pp. 2856–65, doi:10.1021/acs.inorgchem.0c03259.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41011
Chakraborty, Uttam, et al. “Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical Insights into Structures and Building Principles.” ChemistryOpen, vol. 10, no. 2, Wiley, 2021, pp. 265–71, doi:10.1002/open.202000307.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 35326
Keil, Waldemar, et al. “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, vol. 24, no. 1, Royal Society of Chemistry (RSC), 2021, pp. 477–87, doi:10.1039/d1cp03321b.
LibreCat
| DOI
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, vol. 17, no. 35, Royal Society of Chemistry (RSC), 2021, pp. 8140–52, doi:10.1039/d1sm00979f.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41818
Hense, Dominik, et al. “Self-Assembled Fibrinogen Hydro- and Aerogels with Fibrin-like 3D Structures.” Biomacromolecules, vol. 22, no. 10, American Chemical Society (ACS), 2021, pp. 4084–94, doi:10.1021/acs.biomac.1c00489.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41816
Wagner, Maximilian, et al. “Multiresponsive Polymer Nanoparticles Based on Disulfide Bonds.” Macromolecules, vol. 54, no. 6, American Chemical Society (ACS), 2021, pp. 2899–911, doi:10.1021/acs.macromol.1c00299.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41815
Hämisch, Benjamin, et al. “Thermodynamic Analysis of the Self‐Assembly of Pseudo Isocyanine Chloride in the Presence of Crowding Agents.” ChemSystemsChem, vol. 3, no. 3, Wiley, 2021, doi:10.1002/syst.202000051.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 25894
Schwind, Bertram, et al. “Modeling of Gyroidal Mesoporous CMK-8 and CMK-9 Carbon Nanostructures and Their X-Ray Diffraction Patterns.” Microporous and Mesoporous Materials, 110330, 2021, doi:10.1016/j.micromeso.2020.110330.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 25897
de los Arcos, Teresa, et al. “Review of Infrared Spectroscopy Techniques for the Determination of Internal Structure in Thin SiO2 Films.” Vibrational Spectroscopy, 103256, 2021, doi:10.1016/j.vibspec.2021.103256.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 25893 | 
Tiemann, Michael, and Christian Weinberger. “Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials.” Advanced Materials Interfaces, 2001153, 2021, doi:10.1002/admi.202001153.
LibreCat
| DOI
| Download (ext.)
2021 | Journal Article | LibreCat-ID: 25896
Tischendorf, R., 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, 105722, 2021, doi:10.1016/j.jaerosci.2020.105722.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22635
Garcia Diosa, Jaime Andres, et al. “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, vol. 109, 2021, pp. 2142–2153, doi:10.1002/jbm.b.34862.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 25892
Steinke, Felix, et al. “New Isoreticular Phosphonate MOFs Based on a Tetratopic Linker.” Dalton Transactions, 2021, pp. 13572–79, doi:10.1039/d1dt02610k.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 39653
Wiebeler, Christian, et al. “Unraveling the Electrochemical and Spectroscopic Properties of Neutral and Negatively Charged Perylene Tetraethylesters.” Scientific Reports, vol. 11, no. 1, 16097, Springer Science and Business Media LLC, 2021, doi:10.1038/s41598-021-95551-0.
LibreCat
| DOI
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., vol. 23, 2021, pp. 1242–53, doi:10.1039/D0CP04537C.
LibreCat
| DOI
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, vol. 26 (7), 2021, p. 1875, doi:10.3390/molecules26071875.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45005
Roy, S., et al. “Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy, and Ab Initio Molecular Dynamics.” J. Phys. Chem. B, vol. 125 (22), 2021, pp. 5971–82, doi:10.1021/acs.jpcb.1c03786.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45006
Triolo, A., et al. “Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent.” J. Chem. Phys., vol. 154, 2021, p. 244501, doi:10.1063/5.0054048.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45003
Codescu, M. A., et al. “Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate.” J. Phys. Chem. A, vol. 125 (9), 2021, pp. 1845–59, doi:10.1021/acs.jpca.0c10191.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45000
Mukherjee, M., et al. “Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study.” J. Chem. Theory Comput., vol. 17 (1), 2021, pp. 105–16, doi:10.1021/acs.jctc.0c00655.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45002
Triolo, A., et al. “Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization.” J. Mol. Liq., vol. 331, 2021, p. 115750, doi:10.1016/j.molliq.2021.115750.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 24566 |
Engelkemeier, Katja, et al. “Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte.” ChemElectroChem, Wiley, 2021, pp. 2155–68, doi:10.1002/celc.202100216.
LibreCat
| DOI
| Download (ext.)
2021 | Conference Paper | LibreCat-ID: 33545
Elsner, Julia, et al. “Unterstützung des Modellierungsprozesses durch Analogiebildung im Sachunterricht.” Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, edited by Sebastian Habig, vol. 41, 2021, pp. 609–12.
LibreCat
2021 | Journal Article | LibreCat-ID: 41007
Dierks, Philipp, et al. “Distinct Photodynamics of κ-N and κ-C Pseudoisomeric Iron(<scp>ii</Scp>) Complexes.” Chemical Communications, vol. 57, no. 54, Royal Society of Chemistry (RSC), 2021, pp. 6640–43, doi:10.1039/d1cc01716k.
LibreCat
| DOI
2021 | Book Chapter | LibreCat-ID: 29936
Ramaswami, Arjun, et al. “Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing.” Applied Reconfigurable Computing. Architectures, Tools, and Applications, Springer International Publishing, 2021, doi:10.1007/978-3-030-79025-7_21.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41001
Ziegler, Felix, et al. “Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.” ACS Catalysis, vol. 11, no. 18, American Chemical Society (ACS), 2021, pp. 11570–78, doi:10.1021/acscatal.1c03057.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40999
Panyam, Pradeep K. R., et al. “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, vol. 27, no. 68, Wiley, 2021, pp. 17220–29, doi:10.1002/chem.202103099.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41009
Maier, Sarah, et al. “Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations.” Organometallics, vol. 40, no. 11, American Chemical Society (ACS), 2021, pp. 1751–57, doi:10.1021/acs.organomet.1c00216.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 30216
Huber-Gedert, Marina, et al. “Fundamental Characterization, Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad.” Chemistry – A European Journal, vol. 27, no. 38, Wiley, 2021, pp. 9905–18, doi:10.1002/chem.202100766.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 25301
Scherer, Beate, et al. “Analytical Characterization of Polyamide 11 Used in the Context of Selective Laser Sintering: Physico-Chemical Correlations.” Polymer Testing, 106786, 2020, doi:10.1016/j.polymertesting.2020.106786.
LibreCat
| DOI
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, vol. 25, 3939, 2020, doi:10.3390/molecules25173939.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19680
Kühne, Thomas, et al. “Disordered Crystals from First Principles II: Transport Coefficients.” Annals of Physics, vol. 421, 2020, p. 168290, doi:https://doi.org/10.1016/j.aop.2020.168290.
LibreCat
| DOI
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, pp. 1–6, doi:10.1080/00268976.2020.1797920.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19823
Elizabeth, Amala, et al. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” Acta Materialia, vol. 200, 2020, doi:https://doi.org/10.1016/j.actamat.2020.09.028.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 21239
Sahoo, Sudhir K., et al. “Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.” ACS Applied Energy Materials, vol. 3, no. 10, American Chemical Society, 2020, pp. 10061–69, doi:10.1021/acsaem.0c01740.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17375
Zhou, Jiaqi, et al. “Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study.” J. Mater. Chem. C, vol. 8, The Royal Society of Chemistry, 2020, pp. 5211–21, doi:10.1039/C9TC06837F.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17379
Kumar Sahoo, Sudhir, et al. “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials.” Scientific Reports, vol. 10, no. 1, 2020, doi:10.1038/s41598-020-62638-z.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17381
Elgabarty, Hossam, et al. “Energy Transfer within the Hydrogen Bonding Network of Water Following Resonant Terahertz Excitation.” Science Advances, vol. 6, no. 17, American Association for the Advancement of Science, 2020, doi:10.1126/sciadv.aay7074.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17386
Kühne, Thomas D., et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics, vol. 152, no. 19, AIP Publishing, 2020, p. 194103, doi:10.1063/5.0007045.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23599
Savikhin, Victoria, et al. “GIWAXS-SIIRkit: Scattering Intensity, Indexing and Refraction Calculation Toolkit for Grazing-Incidence Wide-Angle X-Ray Scattering of Organic Materials.” Journal of Applied Crystallography, vol. 53, 2020, pp. 1108–29, doi:10.1107/s1600576720005476.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23600
Gebers, Jan, et al. “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene.” Chemistry – A European Journal, vol. 26, 2020, pp. 10265–75, doi:10.1002/chem.201904562.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23601
Abdelsamie, Maged, et al. “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation.” Advanced Functional Materials, vol. 30, 2020, p. 2001752, doi:10.1002/adfm.202001752.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23602
Tanim, Tanvir R., et al. “Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging.” Cell Reports Physical Science, vol. 1, 2020, p. 100114, doi:10.1016/j.xcrp.2020.100114.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23603
Bone, Sharon E., et al. “Advanced Characterization in Clean Water Technologies.” Joule, vol. 4, 2020, pp. 1637–59, doi:10.1016/j.joule.2020.06.020.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23604
Kasse, Robert M., et al. “Understanding Additive Controlled Lithium Morphology in Lithium Metal Batteries.” Journal of Materials Chemistry A, vol. 8, 2020, pp. 16960–72, doi:10.1039/d0ta06020h.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23605
Paulsen, Bryan D., et al. “Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor.” Advanced Materials, vol. 32, 2020, p. 2003404, doi:10.1002/adma.202003404.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23606
Steinrück, Hans-Georg, 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, vol. 59, 2020, pp. 23180–87, doi:10.1002/anie.202007745.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23607
Steinrück, Hans-Georg, et al. “Concentration and Velocity Profiles in a Polymeric Lithium-Ion Battery Electrolyte.” Energy & Environmental Science, vol. 13, 2020, pp. 4312–21, doi:10.1039/d0ee02193h.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23608
Prihoda, Annemarie, et al. “Interface between Water–Solvent Mixtures and a Hydrophobic Surface.” Langmuir, vol. 36, 2020, pp. 12077–86, doi:10.1021/acs.langmuir.0c02745.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23617
Chen, Hao, et al. “Tortuosity Effects in Lithium-Metal Host Anodes.” Joule, vol. 4, 2020, pp. 938–52, doi:10.1016/j.joule.2020.03.008.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23618
Steinrück, Hans-Georg, et al. “Toward Quantifying Capacity Losses Due to Solid Electrolyte Interphase Evolution in Silicon Thin Film Batteries.” The Journal of Chemical Physics, vol. 152, 2020, p. 084702, doi:10.1063/1.5142643.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23747
Witte, Thomas, et al. “Selbstbau eines digitalen Low-Cost-Fotometers für den Chemieunterricht.” CHEMKON, vol. 27, no. 4, 2020, pp. 193–98, doi:10.1002/ckon.201900026.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 18534
Vukadinovic, Yannik, et al. “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, pp. 8762–74, doi:10.1021/acs.inorgchem.0c00393.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22644
Hanke, Marcel, et al. “Effect of DNA Origami Nanostructures on HIAPP Aggregation.” Nanomaterials, vol. 10, 2020, p. 2200, doi:10.3390/nano10112200.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22645
Ramakrishnan, Saminathan, et al. “Protein-Assisted Room-Temperature Assembly of Rigid, Immobile Holliday Junctions and Hierarchical DNA Nanostructures.” Molecules, vol. 25, 2020, p. 5099, doi:10.3390/molecules25215099.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22646
Xin, Yang, et al. “Self-Assembly of Highly Ordered DNA Origami Lattices at Solid-Liquid Interfaces by Controlling Cation Binding and Exchange.” Nano Research, vol. 13, 2020, pp. 3142–50, doi:10.1007/s12274-020-2985-4.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22647
Kielar, Charlotte, et al. “Quantitative Assessment of Tip Effects in Single‐Molecule High‐Speed Atomic Force Microscopy Using DNA Origami Substrates.” Angewandte Chemie International Edition, vol. 59, 2020, pp. 14336–41, doi:10.1002/anie.202005884.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22648
Xin, Yang, et al. “Dynamics of Lattice Defects in Mixed DNA Origami Monolayers.” Nanoscale, vol. 12, 2020, pp. 9733–43, doi:10.1039/d0nr01252a.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22649
Xin, Yang, et al. “Cryopreservation of DNA Origami Nanostructures.” Small, vol. 16, 2020, p. 1905959, doi:10.1002/smll.201905959.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22650
Keller, Adrian, and Veikko Linko. “Challenges and Perspectives of DNA Nanostructures in Biomedicine.” Angewandte Chemie International Edition, vol. 59, 2020, pp. 15818–33, doi:10.1002/anie.201916390.
LibreCat
| DOI
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, vol. 506, 2020, p. 144991, doi:10.1016/j.apsusc.2019.144991.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22684
Huang, Jingyuan, et al. “Arranging Small Molecules with Subnanometer Precision on DNA Origami Substrates for the Single‐Molecule Investigation of Protein–Ligand Interactions.” Small Structures, vol. 1, 2020, p. 2000038, doi:10.1002/sstr.202000038.
LibreCat
| DOI
2020 | Dissertation | LibreCat-ID: 22689
Meinderink, Dennis. Molecular Adhesion Science and Engineering of Nanostructured Poly(Acrylic Acid)/Metal Oxide Interfaces. 2020, doi:10.17619/UNIPB/1-1087.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22696
Grothe, R., et al. “Spray Pyrolysis of Thin Adhesion-Promoting ZnO Films on ZnMgAl Coated Steel.” Surface and Coatings Technology, 125869, 2020, doi:10.1016/j.surfcoat.2020.125869.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19844
Elizabeth, Amala, et al. “ Oxidation/Reduction Cycles and Their Reversible Effect on the Dipole Formation at CuInSe2 Surfaces.” Phys. Rev. Materials, vol. 4, American Physical Society, 2020, p. 063401, doi:10.1103/PhysRevMaterials.4.063401.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 21112
Mirhosseini, S. Hossein, et al. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.” Phys. Chem. Chem. Phys., vol. 22, The Royal Society of Chemistry, 2020, pp. 26682–701, doi:10.1039/D0CP04712K.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 21240
Yu, Minghao, 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, vol. 142, no. 46, American Chemical Society, 2020, pp. 19570–78, doi:10.1021/jacs.0c07992.
LibreCat
| DOI