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42 results for “In Operando”
Dataset of "Structural Development on Ru and RuO2 Electrodes during Oxygen Evolution – an operando soft X-ray Absorption Spectroscopy Approach"
<p>Time resolved in-situ X-ray absorption spectroscopy (XAS) in soft X-ray region was used to characterize polarized interphase on Ru and Ru oxide based electrodes under oxygen evolution reaction (OER) conditions. XAS spectra were used to align the type and population of oxygen-containing species formed at electrodes at anodic potentials with local electronic structure of the OER catalyst. The operando soft XAS data do not identify a single rate limiting process at potentials negative to 1.4 V vs Ag/AgCl. Individual intermediates of the oxygen evolution process coexist at the surface at potentials preceding the actual OER onset. The OER is accompanied with redistribution of the electron density resulting for a start of the catalytic cycle reflecting increased population of oxygen vacancies at the surface. The observed spectral behavior indicates a confinement of the OER to the coordination unsaturated sites (cus) at the surface. </p>
Dataset of "Strain-Engineered Ir Shell Enhances Activity and Stability of Ir-Ru Catalysts for Water Electrolysis: An Operando Wide-Angle X-Ray Scattering Study"
<p>Ir-Ru alloys with high Ru content serve as stable and highly active catalysts for the oxygen evolution reaction (OER) in Proton Exchange Membrane Water Electrolyzers (PEM-WEs), enabling efficient operation with remarkably low Ir loadings (150 µg cm-²). Despite this, the mechanisms behind their enhanced stability remain unclear. In this study, we employ operando Wide-Angle X-ray Scattering (WAXS) and complementary ex-situ techniques to investigate the structural evolution of these magnetron-sputtered alloys within a PEM-WE cell. Our results reveal that, upon potential application, Ru is leached from the surface, leading to the formation of a bimetallic Ir-Ru@IrOx core-shell structure. The Ir shell, significantly strained by the underlying Ir-Ru core, exhibits substantially higher catalytic activity than pure Ir. Notably, the Ir-Ru 25:75 catalyst shows superior stability over Ir-Ru 50:50, despite its higher Ru content, due to a more robust Ir shell that protects subsurface Ir and Ru from oxidation and dissolution. This study not only clarifies the performance-enhancing mechanisms of Ir-Ru catalysts but also suggests that other, more economical materials such as Co, Os, or Ti could serve as effective cores in Ir-M systems, offering a pathway to more cost-effective catalysts for PEM-WE applications.</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 "Unwrap Them First: Operando Potential-induced Activation Is Required when Using PVP-Capped Ag Nanocubes as Catalysts of CO₂ Electroreduction"
<p>Raw data for the article "Unwrap Them First: Operando Potential-induced Activation Is Required when Using PVP-Capped Ag Nanocubes as Catalysts of CO₂ Electroreduction'', published in Chimia 2021 75:163, doi: <a href="http://doi.org/10.2533/chimia.2021.163">10.2533/chimia.2021.163</a></p> <p>Folder names describe the type of data content.</p>
Research data for "Phase transitions in NiO during the Oxygen Evolution Reaction assessed via electrochromic phenomena through operando UV-Vis spectroscopy"
<p>This is the dataset supporting the publication "Phase transitions in NiO during the Oxygen Evolution Reaction assessed via electrochromic phenomena through operando UV-Vis spectroscopy", published by the authors in Electrochimica Acta (2024), 144626 under <a title="Persistent link using digital object identifier" href="https://doi.org/10.1016/j.electacta.2024.144626" target="_blank" rel="noreferrer noopener">doi.org/10.1016/j.electacta.2024.144626</a>.</p> <p>The data is ordered according to Figure numbers in the main manuscript and the electronic supplementary information.</p>
Dataset for: In-operando microwave scattering-parameter calibrated measurement of a Josephson travelling wave parametric amplifier
<p>Dataset for manuscript "In-operando microwave scattering-parameter calibrated measurement of a Josephson travelling wave parametric amplifier", <a href="https://arxiv.org/abs/2406.03063">arXiv:2406.03063</a></p> <p>Containing the uncalibrated raw measurement data and the calibrated dataset after applying the 8-term error model.</p>
Platinum-Iron(II) Oxide Sites Directly Responsible for Preferential Carbon Monoxide Oxidation at Ambient Temperature: An Operando X-ray Absorption Spectroscopy Study
<p>Open data for "Platinum-Iron(II) Oxide Sites Directly Responsible for Preferential Carbon Monoxide Oxidation at Ambient Temperature: An Operando X-ray Absorption Spectroscopy Study" Angew. Chem.Int. Ed. 2023,62, e202214032(1 of 11) <a href="https://doi.org/10.1002/anie.202214032">https://doi.org/10.1002/anie.202214032</a></p>
Raw data for the Article "Cyclopentadienone Iron Complex-Catalyzed Hydrogenation of Ketones: An Operando Spectrometric Study Using Pressurized Sample Infusion-Electrospray Ionization-Mass Spectrometry"
<p>This data set contains the raw data (NMR, LC-MS, ESI-MS, HRMS, Elemental Analysis) for the article "Cyclopentadienone Iron Complex-Catalyzed Hydrogenation of Ketones: An <em>Operando</em> Spectrometric Study Using Pressurized Sample Infusion-Electrospray Ionization-Mass Spectrometry" published in <em>Organometallics</em>, DOI:</p> <p><a href="https://doi.org/10.1021/acs.organomet.2c00341">https://doi.org/10.1021/acs.organomet.2c00341</a></p> <p>The compound names correspond to the ones used in the article and its supporting information.</p>
[Data] Acoustic emission signature of martensitic transformation in Laser Powder Bed Fusion of Ti6Al4V-Fe, supported by operando X-ray diffraction
<p>The dataset for this study focuses on investigating Acoustic Emission (AE) monitoring in the Laser Powder Bed Fusion (LPBF) process, using premixed Ti6Al4V-(x wt%) Fe, where x = 0, 3, and 6. By employing a structure-borne AE sensor, we analyze AE data statistically, uncovering notable discrepancies within the 50-750 kHz frequency range. Leveraging Machine Learning (ML) methodologies, we accurately predict composition for particular processing conditions. These fluctuations in AE signals primarily arise from unique microstructural alterations linked to martensitic phase transformation, corroborated by operando synchrotron X-ray diffraction and post-mortem SEM and EBSD analysis. Moreover, cracks are evident at the periphery of the printed parts, stemming from local inadequate heat input during the blending of Ti6Al4V with added Fe powder. These cracks are discerned via AE signals subsequent to the cessation of the laser beam, correlating with the presence of brittle intermetallics at their junction. This study highlights for the first time the potential of AE monitoring in reliably detecting footprints of martensitic transformations during the LPBF process. Additionally, AE is shown to prove valuable for assessing crack formations, particularly in scenarios involving premixed powders and necessitating precise selection of processing parameters, notably at part edges.</p>
Operando electronic conductivity data - Calibration files
<p>Supplemental calibration files for the operando electronic conductivity data.</p> <p>Contains calibration files for:</p> <p>- temperature controllers (ods + json)</p> <p>- flow meters (xlsx + json)</p> <p>- gas chromatograph (json only)</p>
Dataset for the development of a "Flow cell for operando X-ray photon-in-photon-out studies on photo-electrochemical thin film devices"
<p>All raw experimental data concerning this published ChemRxiv manuscript: https://doi.org/10.26434/chemrxiv.12382529.v1 which is now published slightly revised here: https://doi.org/10.12688/openreseurope.14433.1<br> <br> The dataset comprises raw data, analysis and short description:<br> - the CAD-files of the operando cell<br> - the grazing-incidence X-ray diffraction (GIXRD) files of the as-synthesized thin film samples<br> - the high-energy resolution fluoresence-detected (HERFD) X-ray absorption (XAS) files of thin films during photoelectrochemical experimentation<br> - the photoelectrochemical data gathered during HERFD-XAS experiments<br> - the non-operando photoelectrochemical data on the thin film samples<br> - scanning electron microscopy (SEM) image of a representative thin film cross-section<br> - the extended data contains additional information arranged in a word document that are directly linked to the main manuscript</p>
Data from: Operando Proton Transfer Reaction-Time of Flight-Mass Spectrometry of Carbon Dioxide Reduction Electrocatalysis
<p>Seven top-level folders</p> <p>GC-PTR-TOF-MS<br> - Raw data and Jupyter Notebook used for analysis of GC-PTR-TOF-MS data</p> <p>LSV-PTR-TOF-MS<br> - Raw data and Jupyter Notebook used for analysis of PTR-TOF-MS data under linear sweep voltammetry</p> <p>MSCP-PTR-TOF-MS<br> - Raw data and Jupyter Notebook used for analysis of PTR-TOF-MS data under multi-step chronopotentiometry</p> <p>PTR-TOF-MS-Calibration<br> - Raw data and Jupyter Notebook used for analysis of PTR-TOF-MS calibration data</p> <p>SEM<br> - Raw images from scanning electron microscope</p> <p>Stability<br> - Raw data of electrochemical stability</p> <p>TEM<br> - Raw images from transmission electron microscopy</p>
Dataset for publication "Operando Observation of (Bi)carbonate Precipitation during Electrochemical CO2 Reduction in Strongly Acidic Electrolytes"
<p>Broad topic: electrochemical reduction of CO2 using Ag/Cu-based gas diffusion electrodes in neutral and acid electrolyte, operando characterisation using synchrotron radiation (wide-angle X-ray scattering), (bi)carbonate precipitation.</p> <p>Data is devided in subfolders named after the figure of the paper.</p> <p>Raw data, processed data, and Origin/PowerPoint files are all contained in the subfolders.</p> <p>Synchrotron raw data are linked to the experiment numbers MA5874 and INHC1776 at ESRF</p> <p>A subfolder corresponding to a sample contains: data from a potentiostat, gas 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> <p>Synchrotron data are analysized using this python library https://github.com/EmpaEconversion/Twaxs</p>
Dataset for "Operando Investigation of Al Plating Regimes on HOPG in [EMImCl]:AlCl3 by Electrochemical Reflection Anisotropy Spectroscopy"
<p>This is the experimental raw data set associated with the following publication: M. Löw, and MM May, Operando Investigation of Al Plating Regimes on HOPG in [EMImCl]:AlCl3 by Electrochemical Reflection Anisotropy Spectroscopy, Batteries & Supercaps (2024). DOI:<span>10.1002/batt.202400610</span></p> <p>The data set is organized according to the publication's figures. </p>
Supporting data for "The Operando Nature of Isobutene in H–SSZ–13 Unraveled by Machine Learning Potentials Beyond DFT Accuracy"
<p>Supporting data for "The Operando Nature of Isobutene in H–SSZ–13 Unraveled by Machine Learning Potentials Beyond DFT Accuracy" by M. Bocus, S. Vandenhaute and V. Van Speybroeck.</p> <p>This dataset contains examples of input files, submission and analysis scripts, in addition to the molecular dynamics trajectories used to obtain the results reported in the main manuscript. A more detailed description of the dataset content is provided in the README files therein.</p>
Supplementary materials for "Operando phase mapping in multi-material laser powder bed fusion"
<p>This dataset includes the experimental data for the paper: "Operando phase mapping in multi-material laser powder bed fusion" by S. Sumarli, F. Malamud, S. Van Petegem, S. Gaudez, A. Baganis, M. Busi, E. Polatidis, C. Leinenbach, R. Logé, and M. Strobl. For more information, see the "Open data structure.pdf" file.</p>
Operando evidence on the chirality-enhanced oxygen evolution reaction in intrinsically chiral electrocatalysts
<p><span>Additional raw data files for manuscript </span>"Operando evidence on the chirality-enhanced oxygen evolution reaction in intrinsically chiral electrocatalysts"</p> <p>Felipe A. García-Pineda, a Jiahao Yu,a Camilo A. Mesa,b Sergi Plana-Ruiz,c Daniel Ruano,c<br>Yunchang Liang,d Magalí Lingenfelder,d;e Sixto Giménez,b and J. R. Galan-Mascaros, a; f</p> <p>Abstract:<br>Electrolytic hydrogen is identified as a crucial component in the desired decarbonisation of the chemical<br>industry, utilizing renewable energy to split water into hydrogen and oxygen. Water electrolysis<br>still requires important scientific advances to improve its performance and lower its costs. One of the<br>bottlenecks in this direction relates to the sluggish anodic oxygen evolution reaction (OER). Producing<br>anodes with competitive performance remains challenging due to the high energy loses and the<br>harsh working conditions typically imposed by this complex oxidation process. Recent advancements<br>point to spin polarization as an opportunity to enhance the kinetics of this spin-restricted reaction,<br>yielding the paramagnetic O2 molecule. One powerful strategy deals with the generation of chiral<br>catalytic surfaces, typically by surface functionalisation with chiral organic molecules, to promote<br>chiral-induced spin selectivity (CISS) effect during electron transfer. However, the relationship between<br>chirality and enhanced electrocatalysis has been established only from indirect experimental<br>evidences. In this work, we have exploited operando electrochemical and spectroscopic tools to confirm<br>the direct relationship between the faster OER kinetics and the optical activity of enantiopure<br>Fe-Ni metal oxides when compared with their achiral catalysts in alkaline conditions. Our results<br>show the participation of chiral species as reactive intermediates during the electrocatalytic reaction,<br>supporting the appearance of a mechanistic CISS enhancement. Furthermore, these intrinsically chiral<br>transition-metal oxides maintain their enhanced activity in full cell electrolyser architectures at<br>industrially relevant current densities.</p> <p>of Science and Technology (BIST), Av. Paisos Catalans 16, Tarragona, 43007, Spain<br>E-mail: fgarces@iciq.es; jrgalan@iciq.es<br>b Institute of Advanced Materials (INAM), Castelló, Spain, Universitat Jaume I, Av. de<br>Vicente Sos Baynat, Castelló 12006, Spain<br>c SRCIT-Universitat Rovira i Virgili, Avinguda Pa¨õsos Catalans 26, Tarragona, 43007,<br>Spain<br>d Max Planck-EPFL Laboratory for Molecular Nanoscience and Technology, École Polytechnique<br>Fédérale de Lausanne (EPFL), Lausanne, 1015, Switzerland<br>e Helvetia Institute for Science and Innovation, Wollerau, 8832, Switzerland<br>f ICREA, Passeig Lluis Companys, 23, Barcelona, 08010, Spain<br><br></p>
Supporting data for "Understanding the impact of precipitation kinetics on the electrochemical performance of lithium–sulfur batteries by operando X-ray diffraction"
<p>This is the dataset of electrochemical and operando X-ray diffraction measurements for our publication "Understanding the impact of precipitation kinetics on the electrochemical performance of lithium–sulfur batteries by operando X-ray diffraction". This archive contains the raw data and scripts written in R used in the analysis and presentation of the results in this manuscript.</p> <p>Abstract of the manuscript:</p> <p>The complex reaction mechanism of the lithium–sulfur battery system consists of repetitive dissolution and precipitation of the sulfur-containing species in the positive electrode. In particular, the precipitation of lithium sulfide (Li<sub>2</sub>S) during discharge has been considered a crucial factor for obtaining a high degree of active material utilization. Here, the influence of electrolyte amount, electrode thickness, applied current and electrolyte salt on the formation of Li<sub>2</sub>S is systematically investigated in a series of operando X-ray diffraction experiments. Through a combination of simultaneous diffraction and resistance measurements, the evolution of Li<sub>2</sub>S is directly correlated to the variation in internal resistance and transport properties inside the positive electrode. The correlation indicates that at different stages, the Li<sub>2</sub>S precipitation both facilitates and impedes the discharge process. This information on the kinetics of Li<sub>2</sub>S formation offers mechanistic explanations for the strong impact of different electrochemical cell parameters on the cell performance and thus, directions for holistic optimizations to achieve high sulfur utilization.</p> <p> </p>
Dataset of the article 'Redox state kinetics in water-oxidation IrOx electrocatalysts measured by operando spectroelectrochemistry'
<p>Data published in the article 'Redox state kinetics in water-oxidation IrO<sub>x</sub> electrocatalysts measured by <em>operando</em> spectroelectrochemistry', <a href="https://doi.org/10.1021/acscatal.1c03290">https://doi.org/10.1021/acscatal.1c03290</a>.</p> <p>Abstract: hydrous iridium oxides (IrO<sub>x</sub>) are the best oxygen evolution electrocatalysts available for operation in acidic environments. In this study, we employ time-resolved <em>operando</em> spectroelectrochemistry to investigate the redox states kinetics of IrO<sub>x</sub> electrocatalyst films for both water and hydrogen peroxide oxidation. Three different redox species involving Ir<sup>3+</sup>, Ir<sup>3.x+</sup>, Ir<sup>4+</sup> and Ir<sup>4.y+</sup> are identified spectroscopically and their concentrations are quantified as a function of applied potential. The generation of Ir<sup>4.y+</sup> states is found to be the potential determining step for catalytic water oxidation, whilst H<sub>2</sub>O<sub>2</sub> oxidation is observed to be driven by the generation of Ir<sup>4+</sup>states. The reaction kinetics for water oxidation, determined from the optical signal decays at open circuit, accelerate from ~ 20 s to < 0.5 s with increasing applied potential above 1.3V <em>vs.</em> RHE (i.e. TOFs per active Ir state increasing from 0.05 to 2 s<sup>-1</sup>). In contrast, the reaction kinetics for H<sub>2</sub>O<sub>2</sub> are found to be almost independent of the applied potential (increasing from 0.1-0.3 s<sup>-1 </sup>over a wider potential window), indicative of a first order reaction mechanism. These spectroelectrochemical data quantify the increase of both the density of active Ir<sup>4.y+</sup> states and the TOFs of these states with applied positive potential, resulting in the observed sharp turn on of catalytic water oxidation current. We reconcile these data with the broader literature while providing a unique kinetic insight into IrO<sub>x</sub> electrocatalytic reaction mechanisms, indicating a first order reaction mechanism for H<sub>2</sub>O<sub>2</sub> oxidation driven by Ir<sup>4+</sup> states, and a higher order reaction mechanism involving the co-operative interaction of multiple Ir<sup>4.y+</sup> states for water oxidation.</p>
In-operando visualization of redox flow battery in membrane-free microfluidic platform
<p>Images are raw data of main figure 1.(B-D) from "In-operando visualization of redox flow battery in membrane-free microfluidic platform"</p>
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Allen Brain Atlas
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Annotated Behaviour and Observability Dataset (ABODe)
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DANDI Archive for NWB datasets
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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.