41 to 50 of 131 Results
Jul 19, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Pütz, Alexander; Terban, Maxwell; Bette, Sebastian; Haase, Frederik; Dinnerbier, Robert; Lotsch, Bettina, 2023, "Replication data of Lotsch group for: "Total scattering reveals the hidden stacking disorder in a 2D covalent organic framework"", https://doi.org/10.18419/darus-1416, DaRUS, V1, UNF:6:Nc2xf1elxS7bWyzCSRDfzg== [fileUNF]
Interactions between extended π-systems are often invoked as the main driving force for stacking and crystallization of 2D organic polymers. In covalent organic frameworks (COFs), the stacking strongly influences properties such as the accessibility of functional sites, pore geom... |
Jul 19, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Emmerling, Sebastian; Ziegler, Felix; Fischer, Felix R.; Schoch, Roland; Bauer, Matthias; Plietker, Bernd; Buchmeiser, Michael; Lotsch, Bettina, 2023, "Replication data for: "Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity"", https://doi.org/10.18419/darus-2729, DaRUS, V1
Covalent organic frameworks (COFs) offer vast structural and chemical diversity enabling a wide and growing range of applications. While COFs are well-established as heterogeneous catalysts, so far, their high and ordered porosity has scarcely been utilized to its full potential... |
Jul 19, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Emmerling, Sebastian; Schuldt, Robin; Bette, Sebastian; Yao, Liang; Dinnebier, Robert; Kästner, Johannes; Lotsch, Bettina, 2023, "Replication data for: "Interlayer Interactions as Design Tool for Large-Pore COFs"", https://doi.org/10.18419/darus-2728, DaRUS, V1
ABSTRACT: Covalent organic frameworks (COFs) with a pore size beyond 5 nm are still rarely seen in this emerging field. Besides obvious complications like the elaborated synthesis of large linkers with sufficient solubility, more subtle challenges regarding large-pore COF synthes... |
Jul 19, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Emmerling, Sebastian; Germann, Luzia S.; Julien, Patrick; Moudrakovski, Igor; Etter, Martin; Friščić, Tomislav; Dinnebier, Robert; Lotsch, Bettina, 2023, "Replication data for: "In Situ Monitoring of Mechanochemical Covalent Organic Framework Formation Reveals Templating Effect of Liquid Additive"", https://doi.org/10.18419/darus-2727, DaRUS, V1
Covalent organic frameworks (COFs) have emerged as a new class of molecularly precise, porous functional materials characterized by broad structural and chemical versatility, with a diverse range of applications. Despite their increasing popularity, fundamental aspects of COF for... |
Jul 19, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Gottschling, Kerstin; Savasci, Gökcen; Vignolo-González, Hugo A.; Schmidt, Sandra; Mauker, Philipp; Banerjee, Tanmay; Rovó, Petra; Ochsenfeld, Christian; Lotsch, Bettina V., 2023, "Replication data of Lotsch group for: "Rational Design of Covalent Cobaloxime-Covalent Organic Framework Hybrids for Enhanced Photocatalytic Hydrogen Evolution"", https://doi.org/10.18419/darus-1816, DaRUS, V1
All primary data files of measurements and processed data of the journal article mentioned under related publications from Lotsch group can be found here. This dataset contains all data from analytical measurements including Brunauer-Emmett-Teller (BET) analysis plots, NMR, FT-IR... |
Jul 19, 2023 - SFB 1333 A3 - Schlaich group, ICP
Jäger, Henrik, 2023, "Replication Data for: A screening of results on the decay length in concentrated electrolytes", https://doi.org/10.18419/darus-3551, DaRUS, V1
This is the repository holding the inputs for atomistic Molecular Dynamics Simulations of nano-confined mica slabs as well as the outputs for cDFT calculations. Also, scripts for input generation and all analysis tools used are See the README file for more information. |
Jul 18, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Trenker, Stefan; Grunenberg, Lars; Banerjee, Tanmay; Savasci, Gökcen; Poller, Laura M.; Muggli, Katharina I. M.; Haase, Frederik; Ochsenfeld, Christian; Lotsch, Bettina, 2023, "Replication Data for: "A flavin-inspired covalent organic framework for photocatalytic alcohol oxidation"", https://doi.org/10.18419/darus-2244, DaRUS, V1
Covalent organic frameworks (COFs) offer a number of key properties that predestine them to be used as heterogeneous photocatalysts, including intrinsic porosity, long-range order, and light absorption. Since COFs can be constructed from a practically unlimited library of organic... |
Jun 30, 2023 - PN 3-11
Wachlmayr, Johann; Fläschner, Gotthold; Pluhackova, Kristyna; Sandtner, Walter; Siligan, Christine; Horner, Andreas, 2023, "Supplementary Material for 'Entropic barrier of water permeation through single-file channels'", https://doi.org/10.18419/darus-3390, DaRUS, V1
Facilitated water permeation through narrow biological channels is fundamental for all forms of life. This process involves dehydration of bulk water entering the single-file region and hydrogen bond formation with channel lining amino acid residues. Despite its significance in h... |
Buchmeiser, Michael; Probst, Patrick; Wang, Dongren; Hauser, Philipp, 2023, "Replication data of Buchmeiser group for: "Stereoselective Ring-Opening Metathesis Polymerization with Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-3567, DaRUS, V1
This dataset includes NMR (nuclear magnetic resonance) data as raw data files, GPC (gel permeation chromatography) data as ASCII reports, and DSC (differential scanning calorimetry) data as PDF files of poly((+)-DCMNBE) prepared by the action of tungsten initiators W1-10 used for... |
May 26, 2023 - Materials Design
Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1
Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f... |
