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Dataset results
236 results for “electrochemical”
Dataset of "Electronic structure and defect states in bismuth and antimony sulphides identified by energy-resolved electrochemical impedance spectroscopy"
Understanding the nature of the defects in the absorber materials, namely point defects, their formation mechanism and the contribution to the properties is essential for the photovoltaic device performance improvement. They are one the reasons why chalcogenide-based solar cells do not yet meet expected high power conversion efficiencies. Here we identify and present energy distribution of defects in Bi2S3 and Sb2S3, and their (SbxBi(100-x))2S3 alloys (with x = 0, 10, 33, 50, 67, 90, 100 at% Sb content) chalcogenides, being explored for emerging photovoltaic applications as they are earth-abundant and highly absorbing in the visible light range. We show that their density of states (DOS) and related parameters can be obtained experimentally by energy-resolved electrochemical impedance spectroscopy (ER-EIS) in a technically simple and quick way, where ER-EIS data are well correlated with theoretical DFT calculations. ER-EIS reveals that in Bi2S3 there are only shallow defects at CBM. In Sb2S3, ER-EIS reveals also midgap states which can be the cause of low electrical conductivity of Sb2S3. We also explain the discrepancy in the reported values of ionisation potentials and the bandgaps of the Bi- and Sb-chalcogenides. Dominant sulphur vacancy defect was identified in Bi- and Sb-chalcogenides whereas in ternary (SbxBi(100-x))2S3 system, merely 10 at.% of Bi transforms the midgap sulphur defects to shallow ones. This provides novel strategy for healing the midgap defects in Sb2S3, which is crucial for boosting the PV performance and tuning the electrical conductivity in Sb2S3.
Dataset for: Associating Mechano-electrochemical Phenomena to Stochastic Current Events in Micro-Electrochemical Cells Containing TiNb2O7 Particles
<p>This is the raw data used in a manuscript that will be submitted to ChemElectroChem. If you have any questions, please email the creators.</p>
Dataset of "Preparation of novel lithiated high-entropy spinel type oxyhalides and their electrochemical performance in Li-ion batteries "
<p>Electrochemical measurements carried out using the 2032-coin cells with the Li-metal anode have shown voltammetric charge capacities of 450, 694, and 593 mAh g-1 for HEOFe, LiHEOFeCl, and LiHEOFeF, respectively.<br>Galvanostatic chronopotentiometry at 1 C rate confirmed high initial charge capacities for all the samples but galvanostatic curves exhibited a capacity decay over 100 charging/discharging cycles. Raman spectroelectrochemistry measured on the LiHEOFeF sample proved the reversibility of the electrochemical process for initial charging/discharging cycles. Electrochemical impedance spectroscopy revealed the lowest initial charge transfer resistance for LiHEOFeCl and its gradual decrease both for LiHEOFeCl and LiHEOFeF during galvanostatic cycling, whereas the charge transfer resistance of HEOFe slightly increases over 100 galvanostatic cycles due to different mechanism of the electrochemical reduction. </p>
Dataset for Towards improved online dissolution evaluation of Pt-alloy PEMFC electrocatalysts via electrochemical flow cell - ICP-MS setup upgrades
<p>Experimental data comprises raw data from ICP-MS (Inductively coupled plasma mass spectrometry) (i.e. time dependence of signal intensity for Co59 and Pt195) for different cell geometry and operating parameters. <br>Model data comprise of time- and space-dependent values of Pt ions concentration in the modelling cell and local velocity vectors.</p>
Dataset of "High Entropy 2D Metals Sulfides: Fast Synthesis, Exfoliation and Electrochemical Activity in Overall Water Splitting at Alkaline pH"
<p>Novel simple and efficient method for synthesis of high entropy sulfides of iron group metals (Cr, Fe, Ni, Co, Zn) is describedThe created material was investigated as a catalyst for electrochemical water splitting in acidic, neutral and alkaline pH. Investigation of the electrocatalytic activity of the synthesized material shows its high efficiency for overall water splitting in alkaline media. </p>
Dataset of "Capabilities of a novel electrochemical cell for operando XAS and SAXS investigations for PEM fuel cells and water electrolysers"
<p>With this work we present a reversible electrochemical cell and introduce a valuable approach, suitable for being used either for in operando X-Ray Absorption Spectroscopy (XAS) and Small Angle X-Ray Scattering (SAXS). The reversible electrochemical cell was used to depict the time-resolved degradation of a Pt/C catalyst material for Proton Exchange Membrane Fuel Cells (PEMFC). The evolution of the specific electrochemical active surface area (ECSA) was coupled to the evolution of morphological parameters, supported by the analysis of Pt oxidation state. As a result, we obtain a coherent picture in which: the increase of particle (and particle cluster) size is connected to the diminishing of ECSA and to the changes in the fraction of metallic Pt, detailing as the evolution develops in the first 2000 cycles, as previously observed on catalyst model systems. Finally, we introduce some preliminary results underlying the change in Ir oxidation state for a commercial Ir/IrO X catalyst material for PEM water electrolysers and showing as this change is not sufficient to induce any remarkable morphological variations within 500 cycles of accelerated stress tests.</p>
Raw data for the article "Visualisation and quantification of flooding phenomena in gas diffusion electrodes used for electrochemical CO2 reduction: A combined EDX/ICP–MS approach"
<p>Raw data for the article "Visualisation and quantification of flooding phenomena in gas diffusion electrodes used for electrochemical CO2 reduction: A combined EDX/ICP–MS approach", published in Journal of Catalysis 2022 408:1–8, doi: <a href="https://doi.org/10.1016/j.jcat.2022.02.014">10.1016/j.jcat.2022.02.014</a></p> <p>Folder names describe the type of data content.</p>
Bridging the gap between single nanoparticle imaging and global electrochemical response by correlative microscopy assisted by machine vision
<p>The data in this repository corresponds to experimental data: linear sweep voltammetry, optical movie and the database of the SEM images. They support the findings of a study discussed in the article by Godeffroy et al. published in Small Methods with the doi: http:/doi.org/10.1002/smtd.202200659. The data analysis to reproduce the results presented in the article has been carried out by homemade Python program routines also provided in this repository. The descirption of each routine is also provided in a text file.</p>
Imaging the footprint of nanoscale electrochemical reactions for assessing synergistic hydrogen evolution
<p>Dataset complementary to supporting information, such as optical movies, COMSOL model, and Python codes to analyze the experimental and simulated data according to the manuscript submitted for publication.<br> The movies correspond to cyclic voltammetry operando monitoring by optical microscopy of the reduction of water + KCl in the presence of NiCl2 at an ITO electrode or NiCl2 or MgCl2 at ITO electrode coated with Pt nanoparticles.</p> <p>The python function was used to extract the halo size around each nanoparticle from optical images, the python routines were used to postprocess the COMSOL simulation and evalaute the simulated halo size.</p>
Pathways to enhance electrochemical CO2 reduction identified through direct pore-level modeling (data for figures)
<p>This is the data used to create the figures in the article "Pathways to enhance electrochemical CO2 reduction identified through direct pore-level modeling".</p> <p>Published in EES Catalysis</p> <p>DOI: 10.1039/d3ey00122a<br> Evan Johnson<br> Etienne Boutin<br> Shuo Liu<br> Sophia Haussener</p> <p><br> Additional notes are given in the "ReadMe.txt" file.</p>
Dataset for publication "Enhancing C≥2 product selectivity in electrochemical CO2 reduction by controlling the microstructure of gas diffusion electrodes"
<p>Data used for publication:</p> <p>Broad topic: electrochemical reduction of CO2 using gas diffusion electrodes and neutral electrolyte</p> <p>Data is devided in subfolders named after the figure of the paper.</p> <p>Raw data, processed data, and Origin/Power Point files are all contained in the subfolders </p> <p>A subfolder corresponding to a sample contains: data from a potentiostat, gas and liquid chromatograms, recording of flow, pressure and temperature, tables of calculated Faradaic efficiency (FE), png image of the FE vs t, zipped raw files.</p> <p>.json file was created using a yadg scheme (https://dgbowl.github.io/yadg/master/index.html), and data was processed by a dgpost scheme (<a href="https://pypi.org/project/dgpost/">https://dgbowl.github.io/dgpost/master/index.html</a>)</p>
Comparative electrochemical study of veterinary drug – danofloxacin – at glassy carbon electrode and electrified liquid-liquid interface
<p>Data set for the paper " Comparative electrochemical study of veterinary drug – danofloxacin – at glassy carbon electrode and electrified liquid-liquid interface"</p>
Choice of the right supporting electrolyte in electrochemical reductions: a principal component analysis
<h2>Introduction</h2> <p>This dataset contains the raw data as well as an HTML-based visualization of our dataset using Python Bokeh. We have also added a feature to highlight commercially available supporting electrolytes. The data is taken from the PubChem database. For each of the 6650 cations, the known neutral compounds in the PubChem dataset were identified with their corresponding anions. For each of these compounds, the vendor information stored in PubChem was queried.</p> <h2>Directory structure</h2> <ul> <li>Raw Data <ul> <li>[<a href="../records/10813969/files/raw_data.tar.xz?download=1" target="_blank" rel="noopener">raw_data.tar.xz</a>] Compressed directory with the output from the automated feature calculation.</li> <li>[<a href="../records/10813969/files/raw_data.csv?download=1" target="_blank" rel="noopener">raw_data.csv</a>] CSV file with the values of the calculated properties of all cations.</li> </ul> </li> <li>Visualization <ul> <li>[<a href="../records/10813969/files/pca_qac_tool_QC.html?download=1" target="_blank" rel="noopener">pca_qac_tool_QC.html</a>] HTML page with Javascript to display PC1 and PC2 for the quantum chemical PCA model.</li> <li>[<a href="../records/10813969/files/pca_qac_tool_RDKit.html?download=1" target="_blank" rel="noopener">pca_qac_tool_RDKit.html</a>] HTML page with Javascript to display PC1 and PC2 for the PCA model based on non empirical RDKit descriptors.</li> </ul> </li> <li>Tools <ul> <li>[<a href="../records/10813969/files/pca_qac_tool.py?download=1" target="_blank" rel="noopener">pca_qac_tool.py</a>] Python script to generate the HTML output using Bokeh. Depends on the data_pca_qac.csv and the data_commercial.json file.</li> <li>[<a href="../records/10813969/files/PubChem_get_Vendor_information.py?download=1" target="_blank" rel="noopener">PubChem_get_Vendor_information.py</a>] Crawler that checks a list of PubChem CIDs for net-neutral compounds and whether they are commercially available.</li> <li>[<a href="../records/10813969/files/RDKit_Descriptor-2D.py?download=1" target="_blank" rel="noopener">RDKit_Descriptor-2D.py</a>] Python script to calculate all available 2D RDkit descriptors based on a list of SMILES strings.</li> <li>[<a href="../records/10813969/files/RDKit_Descriptor-3D.py?download=1" target="_blank" rel="noopener">RDKit_Descriptor-3D.py</a>] Python script to calculate the RDKit 3D descriptors based on the CREST and ORCA GeoOpt geometries.</li> </ul> </li> </ul>
Supporting data set for: Simulations of the Electrochemical Oxidation of Shape-Selected Nanoparticle Catalysts
<p>This dataset contains input and output files for simulations of the oxidation of a set of shape-selected, 3 nm platinum nanoparticles associated with the manuscript found at https://arxiv.org/abs/2201.07605.</p> <p>The simulations are performed using a grand-canonical Monte-Carlo algorithm[1,2] in combination with the ReaxFF reactive force field method as implemented in the Amsterdam Density Functional (ADF) software package version 2017.106 by Software for Chemistry and Materials (SCM). The Pt/O ReaxFF force field parameterized by Fantauzzi et al. was used for the simulations.[3] Simulations were performed at oxygen chemical potential conditions corresponding to 200-1000 K at ultra-high vacuum (UHV, <em>p</em><sub>O2</sub> = 10<sup>-10</sup> mbar) and 400-1200 K at near-ambient pressure (NAP, <em>p</em><sub>O2</sub> = 1 mbar) conditions. The following nanoparticle shapes were used as input structures for the simulations: (111)-indexed octahedron, (100)-indexed cube, (110)-indexed dodecahedron, (111)- and (100)-indexed cuboctahedron, mixed-indexed sphere, and (730)-indexed tetrahexahedron.</p> <p>The folder structure is as follows:<br> Particle shape -> pressure condition -> temperature condition -> simulation input and output files</p> <p>The simulation input and output files are of the following filetypes:<br> control: Input parameters for the ReaxFF software.<br> control_MC: Input parameters for the GCMC subroutine that interacts with the ReaxFF software.<br> geo: Atomic input coordinates in BGF file format.<br> geo_MCXXXXXX: Atomic output coordinates in BGF file format and ReaxFF total energy result for GCMC step XXXXXX.</p> <p>Simulations were performed for a total of 25,000 iterations. Only accepted GCMC steps result in the creation of a geo_XXXXXX output file. Therefore, the index XXXXXX is not continuous since output files are not written at every iteration. Other ReaxFF-specific output has been filtered in order to declutter the dataset.</p> <p>[1] T. P. Senftle, R. J. Meyer, M. J. Janik, A. C. T. van Duin, J. Chem. Phys. 2013, 139, 044109.<br> [2] T. P. Senftle, M. J. Janik, A. C. T. van Duin, J. Phys. Chem. C 2014, 118, 4967–4981.<br> [3] D. Fantauzzi, J. Bandlow, L. Sabo, J. E. Mueller, A. C. T. van Duin, T. Jacob, Phys. Chem. Chem. Phys. 2014, 16, 23118–23133.</p>
Data set for the journal article "Improving the lifetime of hybrid CoPc@MWCNT catalysts for selective electrochemical CO2-to-CO conversion"
<p>In the article "Improving the lifetime of hybrid CoPc@MWCNT catalysts for selective electrochemical CO<sub>2</sub>-to-CO conversion" we demonstrated that Fe impurities in a hybrid CoPc@MWCNT catalyst lead to its performance deterioration during long-term CO<sub>2</sub> electrolysis. Here we present the dataset the work was based on. The data are divided into four groups:<br> (i) Current transients and gas chromatography data for short-term electrolysis at different potentials (in an excel file we give the numbers of chromatograms for each potential; current transients are given as an origin file with datasets and plots inside)<br> (ii) Current transients and gas chromatography data for long-term electrolysis at different potentials and with different catalysts (in respective excel files we give the numbers of chromatograms; figure numbers are given in the folder names)<br> (iii) Electron microscopy images and EDX datasets (the images and datasets are collected in the folders with respective figure numbers used in the paper)<br> (iv) Calibration curves for ICP-MS</p>
Dataset for Dynamics of Solid-Electrolyte Interphase Formation on Silicon Electrodes Revealed by Combinatorial Electrochemical Screening
<p>This dataset provides the raw data to the manuscript</p> <p>"<strong>Dynamics of Solid-Electrolyte Interphase Formation on Silicon Electrodes Revealed by Combinatorial Electrochemical Screening"</strong></p> <p>published in Angewandte Chemie International Edition (2022): <a href="https://doi.org/10.1002/anie.202207184">https://doi.org/10.1002/anie.202207184</a></p> <p>Specifically, the following measurements are provided:</p> <ul> <li>Electrochemical measurements for combinatorial preparation of solid-electrolyte layers under different conditions and repetitions ("SECCM/")</li> <li>Raman spectra obtained using SHINERS for all the prepared conditions and repetitions ("SHINERS/")</li> <li>Atomic force microscopy data for each SEI layer ("AFM/")</li> <li>Energy-dispersive X-ray spectroscopy data ("EDX/")</li> </ul>
Raw data for the journal article "Cracks as efficient tools to mitigate flooding in gas diffusion electrodes used for the electrochemical reduction of carbon dioxide"
<p>This data set corresponds to the article by Kong et al. entitled "Cracks as efficient tools to mitigate flooding in gas diffusion electrodes used for the electrochemical reduction of carbon dioxide", published in Small Methods</p>
Raw Data - 3D Printing Temperature Tailors Electrical and Electrochemical Properties through Changing Inner Distribution of Graphite/Polymer
<p>This Data set contains the raw data of the article:</p> <p>3D Printing Temperature Tailors Electrical and Electrochemical Properties through Changing Inner Distribution of Graphite/Polymer, Small, 2021, 17, 2101233.</p> <p>C. Iffelsberger, C. W. Jellett, and M. Pumera*,</p> <p>https://doi.org/10.1002/smll.202101233</p> <p>Related to the MSCA Project: 888797 LoCatSpot</p>
Raw Data - High resolution electrochemical additive manufacturing of microstructured active materials: case study of MoSx as a catalyst for the hydrogen evolution reaction
<p>The dataset contains raw data that complements the article:</p> <p>High resolution electrochemical additive manufacturing of microstructured active materials: Case study of MoSx as a catalyst for the hydrogen evolution reaction, J. Mater. Chem. A, 2021, 9, 22072-22081.</p> <p>C. Iffelsberger and M. Pumera*</p> <p>https://doi.org/10.1039/D1TA05581J</p> <p>Related to the MSCA Project: 888797 LoCatSpot</p>
Advanced Redox Electrochemical Capacitor Diode (CAPode) based on Parkerite (Ni3Bi2S2) with High Rectification Ratio for Iontronic Applications
<p>Recently, CAPodes were introduced as a new type of capacitive diode analogues. This device realizes unidirectional charging of ultracapacitors based on ion sieving mechanisms. Here, we present a new redox CAPode system in which hydroxide ions react with nickel bismuth sulfide on nickel foam as a battery-like electrode. This redox reaction leads to a high capacitance in a specific polarization window. However, for reversed bias this Faradaic electrode becomes inactive as it does not react with potassium cations, resulting efficient blocking. By adapting counter electrode materials, mass loading, utilized substrates, and electrolyte concentrations a very high rectification ratio (<em>R<sub>I</sub></em> = 37 and <em>R<sub>II</sub></em> = 0.96 at 10 mV s<sup>-1</sup>) was achieved, significantly surpassing the performance of other reported redox-type CAPodes. Moreover, this system shows an outstanding long-term stability of a rectification retention of 90% for <em>R<sub>II</sub></em> over 5000 repolarization cycles. Additionally, operando electrochemical measurements provide deep insights into the charge/discharge mechanism leading to a rationalization of the proposed concept. The integrated device, tested in logic gate circuits such as AND and OR gates, shows prospective results in ionologic applications.</p>
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.