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1252 Publications
2021 | Journal Article | LibreCat-ID: 33645
Ojha D, Kühne T. Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy. Scientific Reports. 2021;11(1). doi:10.1038/s41598-021-81635-4
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33644
Pylaeva S, Marx P, Singh G, Kühne T, Roemelt M, Elgabarty H. Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids. The Journal of Physical Chemistry A. 2021;125(3):867-874. doi:10.1021/acs.jpca.0c11296
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33649
Kessler J, Calcavecchia F, Kühne T. Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo. Advanced Theory and Simulations. 2021;4(4). doi:10.1002/adts.202000269
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| DOI
2021 | Journal Article | LibreCat-ID: 33648
Ghasemi A, Kühne T. Artificial neural networks for the kinetic energy functional of non-interacting fermions. The Journal of Chemical Physics. 2021;154(7). doi:10.1063/5.0037319
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33655
Chugh M, Jain M, Wang G, Nia AS, Mirhosseini H, Kühne T. A combinatorial study of electrochemical anion intercalation into graphite. Materials Research Express. 2021;8(8). doi:10.1088/2053-1591/ac1965
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33658
Partovi-Azar P, Kühne T. Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase. Micromachines. 2021;12(10). doi:10.3390/mi12101212
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33651
Sahoo SK, Teixeira IF, Naik A, et al. Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials. The Journal of Physical Chemistry C. 2021;125(25):13749-13758. doi:10.1021/acs.jpcc.1c03947
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33657
Mirhosseini H, Tahmasbi H, Kuchana SR, Ghasemi A, Kühne T. An automated approach for developing neural network interatomic potentials with FLAME. Computational Materials Science. 2021;197. doi:10.1016/j.commatsci.2021.110567
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| DOI
2021 | Conference Paper | LibreCat-ID: 33654
Balos V, Elgabarty H, Wolf M, et al. Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields. In: Razeghi M, Baranov AN, eds. Terahertz Emitters, Receivers, and Applications XII. SPIE; 2021. doi:10.1117/12.2594143
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33656
Wang M, Ranjbar A, Kühne T, Belosludov RV, Kawazoe Y, Liang Y. A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states. Carbon. 2021;181:370-378. doi:10.1016/j.carbon.2021.05.026
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33659
Ranjbar A, Mirhosseini H, Kühne T. On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials. 2021;5(1). doi:10.1088/2515-7639/ac363d
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| DOI
2021 | Journal Article | LibreCat-ID: 33681
da Silva MAR, Silva IF, Xue Q, et al. Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst. Applied Catalysis B: Environmental. 2021;304. doi:10.1016/j.apcatb.2021.120965
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33675
Mai L, Maniar D, Zysk F, et al. Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum. Dalton Transactions. 2021;51(4):1384-1394. doi:10.1039/d1dt03753f
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| DOI
2021 | Journal Article | LibreCat-ID: 35327
Wortmann M, Viertel K, Welle A, et al. Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer. International Journal of Heat and Mass Transfer. 2021;177. doi:10.1016/j.ijheatmasstransfer.2021.121536
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| DOI
2021 | Journal Article | LibreCat-ID: 29189
Rogge T, Vogelsang C, Pollmeier P. Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien. Seminar. 2021;4:91-105.
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2021 | Book Chapter | LibreCat-ID: 27071
Pollmeier P, Fechner S. Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten. In: Caruso C, Harteis C, Gröschner A, eds. Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken. Springer Fachmedien; 2021. doi:10.1007/978-3-658-32568-8_16
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| DOI
2021 | Book Chapter | LibreCat-ID: 23733
Pollmeier P, Fechner S. Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht. In: Kubsch M, Sorge S, Arnold J, Graulich N, eds. Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken. Waxmann; 2021:150-154. doi:10.31244/9783830993490
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2021 | Journal Article | LibreCat-ID: 22538
de los Arcos de Pedro MT, Müller H, Wang F, et al. Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films. Vibrational Spectroscopy. Published online 2021. doi:10.1016/j.vibspec.2021.103256
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| DOI
2021 | Journal Article | LibreCat-ID: 22539
Bobzin K, Kalscheuer C, Grundmeier G, de los Arcos de Pedro MT, Schwiderek S, Carlet M. Design of a TiAlON multilayer coating: Oxidation stability and deformation behavior. Surface and Coatings Technology. Published online 2021. doi:10.1016/j.surfcoat.2021.127417
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22535
Knust S, Ruhm L, Kuhlmann A, et al. In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma. Journal of Raman Spectroscopy. Published online 2021:1237-1245. doi:10.1002/jrs.6123
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 37946
Werner T, Grandane A, Pudnika L, Domraceva I, Zalubovskis R. Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones. Synthesis. 2021;53(19):3545-3554. doi:10.1055/a-1509-6078
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 37947
Paradies J, Andexer J, Beifuss U, et al. Organische Chemie. Nachrichten aus der Chemie. 2021;69(3):38-68. doi:10.1002/nadc.20214105947
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 37944
Liu X, Werner T. Indirect reduction of CO2 and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes. Chemical Science. 2021;12(31):10590-10597. doi:10.1039/d1sc02663a
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| DOI
2021 | Journal Article | LibreCat-ID: 37945
Tönjes J, Longwitz L, Werner T. Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction. Green Chemistry. 2021;23(13):4852-4857. doi:10.1039/d1gc00953b
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 37943
Wirth MA, Longwitz L, Kanwischer M, Gros P, Leinweber P, Werner T. AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate. Ecotoxicology and Environmental Safety. 2021;225. doi:10.1016/j.ecoenv.2021.112768
LibreCat
| DOI
2021 | Dissertation | LibreCat-ID: 41006
Schlicher S. 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 H-H, Li Z, Enenkel T, 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. 2021;125(27):14627-14635. doi:10.1021/acs.jpcc.1c02074
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40998
Emmerling ST, Ziegler F, Fischer FR, et al. Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity. Chemistry – A European Journal. 2021;28(8). doi:10.1002/chem.202104108
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41003
Reuter T, Kruse A, Schoch R, Lochbrunner S, Bauer M, Heinze K. Higher MLCT lifetime of carbene iron(<scp>ii</scp>) complexes by chelate ring expansion. Chemical Communications. 2021;57(61):7541-7544. doi:10.1039/d1cc02173g
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40997
Dierks P, Vukadinovic Y, Bauer M. Photoactive iron complexes: more sustainable, but still a challenge. Inorganic Chemistry Frontiers. 2021;9(2):206-220. doi:10.1039/d1qi01112j
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41000
Ghosh P, Schoch R, Bauer M, Jacobi von Wangelin A. Selective Benzylic CH‐Borylations by Tandem Cobalt Catalysis. Angewandte Chemie International Edition. 2021;61(1). doi:10.1002/anie.202110821
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41013
Wissel K, Schoch R, Vogel T, et al. Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion Batteries. Chemistry of Materials. 2021;33(2):499-512. doi:10.1021/acs.chemmater.0c01762
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41010
Watt FA, Burkhardt L, Schoch R, et al. η 3 ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**. Angewandte Chemie International Edition. 2021;60(17):9534-9539. doi:10.1002/anie.202100559
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41012
Winkler M, Schnierle M, Ehrlich F, et al. Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) 3]+/0. Inorganic Chemistry. 2021;60(5):2856-2865. doi:10.1021/acs.inorgchem.0c03259
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41011
Chakraborty U, Bügel P, Fritsch L, Weigend F, Bauer M, Jacobi von Wangelin A. Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical Insights into Structures and Building Principles. ChemistryOpen. 2021;10(2):265-271. doi:10.1002/open.202000307
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 35326
Keil W, Zhao K, Oswald A, Bremser W, Schmidt C, Hintze-Bruening H. 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. 2021;24(1):477-487. doi:10.1039/d1cp03321b
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41817
Hämisch B, Huber K. Mechanism and equilibrium thermodynamics of H- and J-aggregate formation from pseudo isocyanine chloride in water. Soft Matter. 2021;17(35):8140-8152. doi:10.1039/d1sm00979f
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41818
Hense D, Büngeler A, Kollmann F, et al. Self-Assembled Fibrinogen Hydro- and Aerogels with Fibrin-like 3D Structures. Biomacromolecules. 2021;22(10):4084-4094. doi:10.1021/acs.biomac.1c00489
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41816
Wagner M, Krieger A, Minameyer M, et al. Multiresponsive Polymer Nanoparticles Based on Disulfide Bonds. Macromolecules. 2021;54(6):2899-2911. doi:10.1021/acs.macromol.1c00299
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41815
Hämisch B, Pollak R, Ebbinghaus S, Huber K. Thermodynamic Analysis of the Self‐Assembly of Pseudo Isocyanine Chloride in the Presence of Crowding Agents. ChemSystemsChem. 2021;3(3). doi:10.1002/syst.202000051
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 25894
Schwind B, Smått J-H, Tiemann M, Weinberger C. Modeling of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns. Microporous and Mesoporous Materials. Published online 2021. doi:10.1016/j.micromeso.2020.110330
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 25897
de los Arcos T, Müller H, Wang F, et al. Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films. Vibrational Spectroscopy. Published online 2021. doi:10.1016/j.vibspec.2021.103256
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| DOI
2021 | Journal Article | LibreCat-ID: 25893 | 
Tiemann M, Weinberger C. Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials. Advanced Materials Interfaces. Published online 2021. doi:10.1002/admi.202001153
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2021 | Journal Article | LibreCat-ID: 25896
Tischendorf R, Simmler M, Weinberger C, 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. Published online 2021. doi:10.1016/j.jaerosci.2020.105722
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22635
Garcia Diosa JA, Gonzalez Orive A, Weinberger C, 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. 2021;109:2142–2153. doi:10.1002/jbm.b.34862
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| DOI
2021 | Journal Article | LibreCat-ID: 25892
Steinke F, Javed A, Wöhlbrandt S, Tiemann M, Stock N. New isoreticular phosphonate MOFs based on a tetratopic linker. Dalton Transactions. Published online 2021:13572-13579. doi:10.1039/d1dt02610k
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 39653
Wiebeler C, Vollbrecht J, Neuba A, Kitzerow H-S, Schumacher S. Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters. Scientific Reports. 2021;11(1). doi:10.1038/s41598-021-95551-0
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45001
Roos E, Brehm M. A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures. Phys Chem Chem Phys. 2021;23:1242-1253. doi:10.1039/D0CP04537C
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45004
Brehm M, Thomas M. Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations. Molecules. 2021;26 (7):1875. doi:10.3390/molecules26071875
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45005
Roy S, Brehm M, Sharma S, et al. Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics. J Phys Chem B. 2021;125 (22):5971-5982. doi:10.1021/acs.jpcb.1c03786
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45006
Triolo A, Pietro MED, Mele A, et al. Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent. J Chem Phys. 2021;154:244501. doi:10.1063/5.0054048
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45003
Codescu M-A, Weiß M, Brehm M, Kornilov O, Sebastiani D, Nibbering ETJ. Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate. J Phys Chem A. 2021;125 (9):1845-1859. doi:10.1021/acs.jpca.0c10191
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45000
Mukherjee M, Tripathi D, Brehm M, Riplinger C, Dutta AK. Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study. J Chem Theory Comput. 2021;17 (1):105-116. doi:10.1021/acs.jctc.0c00655
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 45002
Triolo A, Celso FL, Brehm M, Lisio VD, Russina O. Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization. J Mol Liq. 2021;331:115750. doi:10.1016/j.molliq.2021.115750
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 24566 |
Engelkemeier K, Sun A, Voswinkel D, Grydin O, Schaper M, Bremser W. Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte. ChemElectroChem. Published online 2021:2155-2168. doi:10.1002/celc.202100216
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2021 | Conference Paper | LibreCat-ID: 33545
Elsner J, Tenberge C, Fechner S. Unterstützung des Modellierungsprozesses durch Analogiebildung im Sachunterricht. In: Habig S, ed. Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?. Vol 41. ; 2021:609-612.
LibreCat
2021 | Journal Article | LibreCat-ID: 41007
Dierks P, Kruse A, Bokareva OS, et al. Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(<scp>ii</scp>) complexes. Chemical Communications. 2021;57(54):6640-6643. doi:10.1039/d1cc01716k
LibreCat
| DOI
2021 | Book Chapter | LibreCat-ID: 29936
Ramaswami A, Kenter T, Kühne T, Plessl C. Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing. In: 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 F, Kraus H, Benedikter MJ, et al. Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes. ACS Catalysis. 2021;11(18):11570-11578. doi:10.1021/acscatal.1c03057
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40999
Panyam PKR, Atwi B, Ziegler F, 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. 2021;27(68):17220-17229. doi:10.1002/chem.202103099
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41009
Maier S, Cronin SP, Vu Dinh M-A, et al. Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations. Organometallics. 2021;40(11):1751-1757. doi:10.1021/acs.organomet.1c00216
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 30216
Huber-Gedert M, Nowakowski M, Kertmen A, et al. Fundamental Characterization, Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad. Chemistry – A European Journal. 2021;27(38):9905-9918. doi:10.1002/chem.202100766
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 25301
Scherer B, Kottenstedde IL, Bremser W, Matysik F-M. Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations. Polymer Testing. Published online 2020. doi:10.1016/j.polymertesting.2020.106786
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19679
Ojha D, Kühne TD. “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. Molecules. 2020;25. doi:10.3390/molecules25173939
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19680
Kühne T, Heske JJ, Prodan E. Disordered crystals from first principles II: Transport coefficients. Annals of Physics. 2020;421:168290. doi:https://doi.org/10.1016/j.aop.2020.168290
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19681
Salem MA, Kühne TD. Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis. Molecular Physics. 2020:1-6. doi:10.1080/00268976.2020.1797920
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19823
Elizabeth A, Conradi H, K. Sahoo S, et al. Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. Acta Materialia. 2020;200. doi:https://doi.org/10.1016/j.actamat.2020.09.028
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 21239
Sahoo SK, Heske JJ, Antonietti M, Qin Q, Oschatz M, Kühne T. Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon. ACS Applied Energy Materials. 2020;3(10):10061-10069. doi:10.1021/acsaem.0c01740
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17375
Zhou J, Khazaei M, Ranjbar A, et al. Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study. J Mater Chem C. 2020;8:5211-5221. doi:10.1039/C9TC06837F
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17379
Kumar Sahoo S, Heske JJ, Azadi S, et al. On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials. Scientific Reports. 2020;10(1). doi:10.1038/s41598-020-62638-z
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17381
Elgabarty H, Kampfrath T, Bonthuis DJ, et al. Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation. Science Advances. 2020;6(17). doi:10.1126/sciadv.aay7074
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17386
Kühne TD, Iannuzzi M, Del Ben M, et al. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics. 2020;152(19):194103. doi:10.1063/5.0007045
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| DOI
2020 | Journal Article | LibreCat-ID: 23599
Savikhin V, Steinrück H-G, Liang R-Z, 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. 2020;53:1108-1129. doi:10.1107/s1600576720005476
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23600
Gebers J, Özen B, Hartmann L, et al. Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene. Chemistry – A European Journal. 2020;26:10265-10275. doi:10.1002/chem.201904562
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23601
Abdelsamie M, Xu J, Bruening K, Tassone CJ, Steinrück H-G, Toney MF. Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation. Advanced Functional Materials. 2020;30:2001752. doi:10.1002/adfm.202001752
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23602
Tanim TR, Paul PP, Thampy V, et al. Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging. Cell Reports Physical Science. 2020;1:100114. doi:10.1016/j.xcrp.2020.100114
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23603
Bone SE, Steinrück H-G, Toney MF. Advanced Characterization in Clean Water Technologies. Joule. 2020;4:1637-1659. doi:10.1016/j.joule.2020.06.020
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23604
Kasse RM, Geise NR, Ko JS, Nelson Weker J, Steinrück H-G, Toney MF. Understanding additive controlled lithium morphology in lithium metal batteries. Journal of Materials Chemistry A. 2020;8:16960-16972. doi:10.1039/d0ta06020h
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23605
Paulsen BD, Wu R, Takacs CJ, et al. Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor. Advanced Materials. 2020;32:2003404. doi:10.1002/adma.202003404
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23606
Steinrück H-G, Cao C, Lukatskaya MR, 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. 2020;59:23180-23187. doi:10.1002/anie.202007745
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23607
Steinrück H-G, Takacs CJ, Kim H-K, et al. Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte. Energy & Environmental Science. 2020;13:4312-4321. doi:10.1039/d0ee02193h
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23608
Prihoda A, Will J, Duchstein P, et al. Interface between Water–Solvent Mixtures and a Hydrophobic Surface. Langmuir. 2020;36:12077-12086. doi:10.1021/acs.langmuir.0c02745
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2020 | Journal Article | LibreCat-ID: 23617
Chen H, Pei A, Wan J, et al. Tortuosity Effects in Lithium-Metal Host Anodes. Joule. 2020;4:938-952. doi:10.1016/j.joule.2020.03.008
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2020 | Journal Article | LibreCat-ID: 23618
Steinrück H-G, Cao C, Veith GM, Toney MF. Toward quantifying capacity losses due to solid electrolyte interphase evolution in silicon thin film batteries. The Journal of Chemical Physics. 2020;152:084702. doi:10.1063/1.5142643
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2020 | Journal Article | LibreCat-ID: 23747
Witte T, Hanemann S, Sommerfeld H, Temmen K, Fechner S. Selbstbau eines digitalen Low-Cost-Fotometers für den Chemieunterricht. CHEMKON. 2020;27(4):193-198. doi:10.1002/ckon.201900026
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2020 | Journal Article | LibreCat-ID: 18534
Vukadinovic Y, Burkhardt L, Päpcke A, 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. 2020:8762-8774. doi:10.1021/acs.inorgchem.0c00393
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2020 | Journal Article | LibreCat-ID: 22644
Hanke M, Gonzalez Orive A, Grundmeier G, Keller A. Effect of DNA Origami Nanostructures on hIAPP Aggregation. Nanomaterials. 2020;10:2200. doi:10.3390/nano10112200
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2020 | Journal Article | LibreCat-ID: 22645
Ramakrishnan S, Subramaniam S, Kielar C, Grundmeier G, Stewart AF, Keller A. Protein-Assisted Room-Temperature Assembly of Rigid, Immobile Holliday Junctions and Hierarchical DNA Nanostructures. Molecules. 2020;25:5099. doi:10.3390/molecules25215099
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2020 | Journal Article | LibreCat-ID: 22646
Xin Y, Martinez Rivadeneira S, Grundmeier G, Castro M, Keller A. Self-assembly of highly ordered DNA origami lattices at solid-liquid interfaces by controlling cation binding and exchange. Nano Research. 2020;13:3142-3150. doi:10.1007/s12274-020-2985-4
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2020 | Journal Article | LibreCat-ID: 22647
Kielar C, Zhu S, Grundmeier G, Keller A. Quantitative Assessment of Tip Effects in Single‐Molecule High‐Speed Atomic Force Microscopy Using DNA Origami Substrates. Angewandte Chemie International Edition. 2020;59:14336-14341. doi:10.1002/anie.202005884
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2020 | Journal Article | LibreCat-ID: 22648
Xin Y, Ji X, Grundmeier G, Keller A. Dynamics of lattice defects in mixed DNA origami monolayers. Nanoscale. 2020;12:9733-9743. doi:10.1039/d0nr01252a
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2020 | Journal Article | LibreCat-ID: 22649
Xin Y, Kielar C, Zhu S, et al. Cryopreservation of DNA Origami Nanostructures. Small. 2020;16:1905959. doi:10.1002/smll.201905959
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2020 | Journal Article | LibreCat-ID: 22650
Keller A, Linko V. Challenges and Perspectives of DNA Nanostructures in Biomedicine. Angewandte Chemie International Edition. 2020;59:15818-15833. doi:10.1002/anie.201916390
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2020 | Journal Article | LibreCat-ID: 22651
Keller A, Grundmeier G. Amyloid aggregation at solid-liquid interfaces: Perspectives of studies using model surfaces. Applied Surface Science. 2020;506:144991. doi:10.1016/j.apsusc.2019.144991
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2020 | Journal Article | LibreCat-ID: 22684
Huang J, Suma A, Cui M, et al. Arranging Small Molecules with Subnanometer Precision on DNA Origami Substrates for the Single‐Molecule Investigation of Protein–Ligand Interactions. Small Structures. 2020;1:2000038. doi:10.1002/sstr.202000038
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2020 | Dissertation | LibreCat-ID: 22689
Meinderink D. Molecular Adhesion Science and Engineering of Nanostructured Poly(Acrylic Acid)/Metal Oxide Interfaces.; 2020. doi:10.17619/UNIPB/1-1087
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2020 | Journal Article | LibreCat-ID: 22696
Grothe R, Knust S, Meinderink D, Voigt M, Orive AG, Grundmeier G. Spray pyrolysis of thin adhesion-promoting ZnO films on ZnMgAl coated steel. Surface and Coatings Technology. 2020. doi:10.1016/j.surfcoat.2020.125869
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2020 | Journal Article | LibreCat-ID: 19844
Elizabeth A, Sahoo SK, Lockhorn D, et al. Oxidation/reduction cycles and their reversible effect on the dipole formation at CuInSe2 surfaces. Phys Rev Materials. 2020;4:063401. doi:10.1103/PhysRevMaterials.4.063401
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2020 | Journal Article | LibreCat-ID: 21112
Mirhosseini SH, Kormath Madam Raghupathy R, Sahoo SK, Wiebeler H, Chugh M, Kühne T. In silico investigation of Cu(In,Ga)Se2-based solar cells. Phys Chem Chem Phys. 2020;22:26682-26701. doi:10.1039/D0CP04712K
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2020 | Journal Article | LibreCat-ID: 21240
Yu M, Chandrasekhar N, Kormath Madam Raghupathy R, 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. 2020;142(46):19570-19578. doi:10.1021/jacs.0c07992
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