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16 results for “conjugated polymers”
Research data supporting "Post-polymerisation functionalisation of conjugated polymer backbones and its application in multi-functional emissive nanoparticles"
<p>Research data supporting the publication:</p> <p>Creamer A. et al., "Post-polymerisation functionalisation of conjugated polymer backbones and its application in multi-functional emissive nanoparticles",<em> Nature Communications</em><strong>, 9</strong>:3237 (2018).</p>
DataSet for "Hybrid Based on Phenazine Conjugated Microporous Polymer as a High-Performance Organic Electrode in Aqueous Electrolytes"
<p>All raw data were obtained directly by the instruments and were then elaborated by us using Origin and/or Excel. All the facilities used, except for the NMR measurements, are present in IMDEA Energy Institute <br> <br> </p>
N-type molecular doping of a semicrystalline conjugated polymer through cation exchange
<p>N-type molecular doping of a semicrystalline conjugated polymer through cation exchange was conducted. UV-Vis absorption, photoelectron yield, and x-ray diffraction measurements were conducted to evaluate the resulting doping levels and stability.</p>
Data and Code For: Closing the Loop Between Microstructure and Charge Transport in Conjugated Polymers by Combining Microscopy and Simulation.
<p>This repository contains the datasets and scripts used in the article "Closing the Loop Between Microstructure and Charge Transport in Conjugated Polymers by Combining Microscopy and Simulation." </p> <p>Contents:</p> <p>4D-STEM data of the polymer PBTTT, annealed at 180C for 2h, vapor doped with the molecule F4TCNQ</p> <ul> <li>3_80x80_ss=10nm_spot9_alpha=p48_cl=480_RT_300kV_33ms_bin=4.zip ("Scan 3", Main case study)</li> <li>05 CL480 alpha p48 300kV spot11 50ms 80x80 s10.zip</li> </ul> <p>4D-STEM data of the polymer PBTTT, annealed at 180C for 2h, undoped</p> <ul> <li>10 A1 CL480 alpha p48 300kV spot11 50ms 80x80 s10.zip</li> <li>15 A1 CL480 alpha p48 300kV spot11 50ms 80x80 s10.zip</li> </ul> <p>Preprocessed data from "Scan 3." Images are centered, artifacts are removed, and images are binned and converted to radial coordinates.</p> <ul> <li>4D-STEM Preprocessed.zip <ul> <li>sample_preprocessed_data_80x80_ss=10_cl=480__q 1.00 3.00 0.05 a 5.00.npy (medium resolution, wide range, used in paper)</li> <li>sample_data_cube_q_1.0_2.0_0.1_angle_5.npy (low resolution, narrow range)</li> </ul> </li> </ul> <p>Grazing-Incidence Wide-Angle X-ray scattering (GIWAXs) scan of annealed PBTTT, supporting our interpretation of the 4D-STEM data.</p> <ul> <li>3 raw images</li> <li>Calibration files</li> <li>Combined processed image</li> </ul> <p>Spatially resolved diffraction intensity mapped onto a spherical harmonic basis set, for use as an input to structural simulations. One for each of the four 4D-STEM datasets.</p> <ul> <li>spherical_harmonics.zip</li> </ul> <p>Simulated structures of polymer chains based on the processed 4D-STEM data, created using code at https://github.com/SpakowitzLab/wlcsim. Each simulation produced 15 structures using different levels of chain alignment.</p> <ul> <li>chain_geometries.zip <ul> <li>main_dataset_03 (main case study)</li> <li>hi_align_03 (3.3x higher alignment factors than main dataset)</li> <li>undoped_10</li> <li>undoped_15</li> </ul> </li> </ul> <p>Simulations of charge transport through the structures</p> <ul> <li>transport_simulations.zip <ul> <li>ct_16_n100 (explores structural modifications and their effects on mobility)</li> <li>ct_18_n1000 (explores transport in all 4 directions and is used for making GIFs of simulations)</li> <li>ct_20_n1000 (explores the effect of degree of chain alignment)</li> <li>ct_28_n1000 (explores the effect of electric field strength)</li> <li>ct_29_n100 (tracks distances of individual on-chain moves)</li> <li>ct_30_n10000 (uses a high sample size and varied start positions to sample both short-time and long-time mobility)</li> </ul> </li> </ul> <p>Code for 4D-STEM analysis and simulations of charge transport. (Code for structural simulations can be found at https://github.com/SpakowitzLab/wlcsim).</p> <ul> <li>code.zip <ul> <li>preprocess_4dstem.py: package for preprocessing 4D-STEM files</li> <li>flow_fields.py: package for visualizing 4D-STEM data using director maps</li> <li>autocorrelation.py: package for measuring correlation lengths in 4D-STEM data via multiple methods</li> <li>spherical_harmonics.py: package for mapping diffraction intensity onto a spherical harmonic basis set. The results can be used as an input for structural simulations. </li> <li>charge_transfer_assets.py: package for performing charge transfer simulation on simulated chain coordinates</li> </ul> </li> <li>examples.zip <ul> <li>preprocess_demo: sample usage for preprocess_4dstem.py</li> <li>visualization_demo: sample usage for flow_fields.py, autocorrelation.py, and spherical_harmonics.py</li> <li>charge_tranpsort_demo: sample usage for charge_transfer_assets.py</li> <li>paper_figures: shows the code for producing several figures from the paper, using the included simulation datasets. </li> </ul> </li> </ul>
Conjugated polymers for microwave applications: untethered sensing platforms and multifunctional devices
<p>Raw data for the manuscript "Conjugated polymers for microwave applications: untethered sensing platforms and multifunctional devices".</p> <p>In reference to the manuscript, the dataset is organized in three subsets, each related to one of the Figures in the main texts of the article:</p> <ol> <li>The return losses (S11 spectra) from the reconfigurable microwave resonators, in the form of .s1p files, realized with different tuning conjugated polymers;</li> <li>The electrochemical and microwave characterization of an enzymatic reaction cell / microwave resonator assembly;</li> <li>The microwave characterization of a amplitude- and frequency-tunable resonator.</li> </ol>
Spin Relaxation of Electron and Hole Polarons in Ambipolar Conjugated Polymers. DataSet
<p>Source Data Set for the publication entitled: "Spin Relaxation of Electron and Hole Polarons in Ambipolar Conjugated Polymers"</p>
Temperature-Dependent Dynamics of Molecular Dopant in Conjugated Polymer
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Resonant Soft X-ray Scattering Reveals the Distribution of Dopants in Semicrystalline Conjugated Polymers
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Data from: Charge state-dependent ion condensation near conjugated polymer backbones
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Dataset of article : A phenazine-based conjugated microporous polymer as high performing cathode for aluminium-organic batteries
<p>Data used for preparation of the article : A phenazine-based conjugated microporous polymer as high performing cathode for aluminium-organic batteries</p><p> Abstract of article: </p><p>Here, we present one of the first examples of a phenazine-based hybrid microporous polymer, referred to as IEP-27-SR, utilized as an organic cathode in an aluminium battery with an AlCl3-EMIMCl ionic liquid electrolyte. The preliminary redox and charge storage mechanism of IEP-27-SR was confirmed by ex situ ATR-IR and EDS analyses. The introduction of phenazine active units in a robust microporous framework resulted in a remarkable rate-capability (specific capacity of 116 mAh g-1 at 0.5C with 77% capacity retention at 10C) and notable cycling stability, maintaining 75% of their initial capacity after 3440 charge-discharge cycles at 1C (127 days of continuous cycling). This superior performance compared to reported Al//n-type organic cathode RABs is attributed to the stable 3D porous microstructure and the presence of micro/mesoporosity of IEP-27-SR, which facilitates electrolyte permeability and improves kinetics.</p>
Perpendicular Crossing Chains Enable High Mobility in a Non-Crystalline Conjugated Polymer: Molecular Dynamics Forcefields and Structures
<p>This repository contains molecular dynamics forcefields and structures used to produce results described in the research article: "<em>Perpendicular Crossing Chains Enable High Mobility in a Non-Crystalline Conjugated Polymer</em>" published in <em>Proceedings of the National Academy of Sciences</em> (DOI:10.1073/pnas.2403879121)</p> <p>The following data is available:</p> <ul> <li>Coarse-grained forcefields of the conjugated polymer C16-IDTBT (12mer and 24mer).</li> <li>Coarse-grained structures of single chains of C16-IDTBT (12mer and 24mer).</li> <li>Atomistic forcefields of the conjugated polymer C16-IDTBT (12mer and 24mer).</li> <li>Atomistic structures of single chains of C16-IDTBT (12mer and 24mer).</li> <li>Bonded and non-bonded parameter files for the atomistic C16-IDTBT forcefields.</li> <li>Coarse-grained structures of thin film models (1 x C16-IDTBT 24mers, 3 x C16-IDTBT 12mers, 3 x P3HT 48mers, 3 x PffBT4T-2OD 12mers).</li> <li>Backmapped (atomistic) structures of thin film models (1 x C16-IDTBT 24mers, 3 x C16-IDTBT 12mers, 3 x P3HT 48mers, 3 x PffBT4T-2OD 12mers).</li> </ul> <p>Coarse-grained models are based on the Martini 3 forcefield: Souza, P. et al., <em>Nature Methods</em>, 2021, (https://doi.org/10.1038/s41592-021-01098-3). The bonded and nonbonded parameters may be sourced from the Martini website: https://cgmartini.nl/</p> <p>Atomistic models are based on the OPLS-AA forcefield: Kaminski, G. A. et al.,<em> J. Phys. Chem. B</em>, 2001, (https://doi.org/10.1021/jp003919d). The required bonded and nonbonded parameters have been included in this repository for convenience.</p> <p>Please note that the C16-IDTBT atomistic forcefields and single chain structures have previously been published in another repository (https://doi.org/10.11583/DTU.c.5254236.v1). They are included here for completeness.</p> <p>For any further data related to this research article, please contact the authors.</p>
Adsorbed polymer conjugates to adaptively inhibit blood coagulation activation by medical membranes
<p>Dataset to the manuscript</p> <p><strong>'Adsorbed polymer conjugates to adaptively inhibit blood coagulation activation by medical membranes'</strong></p> <p>Tina Helmecke, Dominik Hahn, André Ruland, Mikhail V. Tsurkan, Manfred F. Maitz, Carsten Werner</p>
Data for article "Tracking Charge Transfer to Residual Metal Clusters in Conjugated Polymers for Photocatalytic Hydrogen Evolution"
<p>Data presented in the publication "Tracking Charge Transfer to Residual Metal Clusters in Conjugated Polymers for Photocatalytic Hydrogen Evolution", published in the Journal of the American Chemical Society. The published article is available at <a href="https://doi.org/10.1021/jacs.0c06104">https://doi.org/10.1021/jacs.0c06104</a></p>
Data from: Convenient fabrication of conjugated polymer semiconductor nanotubes and their application in organic electronics
Organic heterojunction is indispensable in organic electronic devices, such as organic solar cells (OSCs), organic light-emitting diodes (OLEDs) and so on. Fabrication of core-shell nanostructure provides feasible and novel way to prepare organic heterojunction, which is beneficial for miniaturization and integration of organic electronic devices. Fabrication of nanotubes which constitute the core-shell structure in large quantity is the key for the realization of application. In this work, a simple and convenient method to prepare nanotubes utilizing conjugated copolymer of perylene diimide and dithienothiophene (P(PDI-DTT)) was demonstrated. The relationship between preparation condition (solvent atmosphere, solution concentration and pore diameter of templates) and morphology of nanostructure was studied systematically. P(PDI-DTT) nanotubes could be fabricated in regular shape and large quantity by preparing the solution with appropriate concentration and placing Anodic Aluminum Oxide (AAO) template with nanopore diameter of 200 nm in the solvent atmosphere. The tubular structure was confirmed by scanning electron microscope (SEM). P(PDI-DTT) nanotubes exhibited electron mobility of 0.02 cm2V-1s–1 in field effect transistors under ambient condition. Light emitting nanostructures were successfully fabricated by incorporating tetraphenyl ethylene (TPE) into polymer nanotubes.
Organic Light-Emitting Transistors with Simultaneous Enhancement of Optical Power and External Quantum Efficiency via Conjugated Polar Polymer Interlayers
<p>Organic light-emitting transistors (OLETs) show the fascinating combination of electrical switching characteristics and light generation capability. However, to ensure an effective device operation, an efficient injection of charges into the emissive layer is required. The introduction of solution-processed conjugated polyelectrolyte (CPE) films at the emissive layer/electrode interface represents a promising strategy to improve the electron injection process by dipole formation. However, their use in optoelectronic devices also involves some limitations because of the ionic nature of CPEs. In this context, neutral conjugated polar polymers (CPPs) represent a valid alternative to CPEs because the conjugated backbones of CPPs are functionalized with polar nonionic side groups, thus avoiding ion-dependent drawbacks. By introducing a layer of polyfluorene-containing phosphonate groups underneath the metal electrodes, we here demonstrate a substantial improvement of the electron injection properties into the OLET-emissive layer and, accordingly, a more than 2-fold increased light power and a 5 times higher external quantum efficiency of p-type OLETs in comparison with reference devices without any interlayer. The great benefit of using a transparent glass substrate allowed to selectively investigate the morphological and photoluminescent characteristics of both CPE- and CPP-buried interlayers within complete OLETs by means of an optical scanning probe technique. This, together with a thorough optoelectronic characterization of the figures of merit of working light-emitting devices, allowed to disclose the origin of the improved optical performance of CPP-based devices as well as the operation mechanisms of the investigated interlayer in the corresponding OLETs.</p>
Data from: Convenient fabrication of conjugated polymer semiconductor nanotubes and their application in organic electronics
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OpenNeuro
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