1 to 10 of 14 Results
Dec 14, 2023 - Materials Design
Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/darus-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF]
Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentia... |
Dec 4, 2023 - Institute for Modelling and Simulation of Biomechanical Systems
Schmid, Laura; Klotz, Thomas; Röhrle, Oliver; Powers, Randall K.; Negro, Francesco; Yavuz, Utku S., 2023, "Replication Data for “Postinhibitory excitation in motoneurons can be facilitated by hyperpolarization-activated inward currents: a simulation study”", https://doi.org/10.18419/darus-3686, DaRUS, V1
This dataset contains spiketrains from experimental as well as simulated motoneurons that were analysed for the publication Postinhibitory excitation in motoneurons can be facilitated by hyperpolarization-activated inward currents: a simulation study. Abstract: Postinhibitory exc... |
Oct 11, 2023 - 3rd Physics Institute
Shalomayeva, Tetyana, 2023, "Replication Data for: Dopant-assisted stabilization of negatively charged single nitrogen-vacancy centers in phosphorus-doped diamond at low temperatures", https://doi.org/10.18419/darus-3734, DaRUS, V1, UNF:6:hxajGD1ljHHsxMwFLm1PZA== [fileUNF]
Datasets to reproduce all plots in the paper. Each spreadsheet (xls file) contains the horizontal and vertical data of every subfigure. The experimental data is collected using the low-temperature confocal microscope. The fluorescence of Nitrogen-Vacancy centers in phosphorus-dop... |
Oct 11, 2023 - NMR insights into nanoconfined water using the surface exchange model
Gravelle, Simon, 2023, "Molecular simulation scripts for slit nanopores with tunable hydrophilicity", https://doi.org/10.18419/darus-3732, DaRUS, V1
GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the bash script run_gmx.sh to run GROMACS. See the README.md file. |
Aug 2, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Maschita, Johannes; Banerjee, Tanmnay; Lotsch, Bettina V., 2023, "Replication data of Lotsch group for: "Direct and Linker-Exchange Alcohol-Assisted Hydrothermal Synthesis of Imide-Linked Covalent Organic Frameworks"", https://doi.org/10.18419/darus-2777, DaRUS, V1, UNF:6:JpoGE3mNSdR4fNCRgNQIxQ== [fileUNF]
Covalent organic frameworks (COFs) are an extensively studied class of porous materials, which distinguish themselves from other porous polymers in their crystallinity and high degree of modularity, enabling a wide range of applications. However, the established synthetic protoco... |
Biswal, Bishnu P.; Vignolo-González, Hugo A.; Banerjee, Tanmay; Grunenberg, Lars; Savasci, Gökcen; Gottschling, Kerstin; Nuss, Jürgen; Ochsenfeld, Christian; Lotsch, Bettina V., 2023, "Replication data of Lotsch group for: "Sustained Solar H2 Evolution from a Thiazolo[5,4-d]thiazole-Bridged Covalent Organic Framework and Nickel-Thiolate Cluster in Water"", https://doi.org/10.18419/darus-1815, DaRUS, V2, UNF:6:POtENPQX785p3CSw5E5gcg== [fileUNF]
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 BET plots, elemental analysis, CO2 adsorption, crystal... |
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; 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... |
