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42 results for “In Operando”
Dataset of "Unraveling the Mechanism of the CO2-Assisted Oxidative Dehydrogenation of Propane over VOx/CeO2: An Operando Spectroscopic Study"
<p>This zip file contains the dataset of the publication "Unraveling the Mechanism of the CO2-Assisted Oxidative Dehydrogenation of Propane over VOx/CeO2: An Operando Spectroscopic Study". The authors are Leon Schumacher, Marius Funke and Christan Hess*. The zip file includes the data for figures 1-8 in the manuscript and the data for figures S1-S11 in the SI.</p> <p>*christian.hess@tu-darmstadt.de</p>
Operando magnetic resonance imaging for mapping of temperature and redox species in thermo-electrochemical cells
<p>Raw data for our publication "Operando magnetic resonance imaging for mapping of temperature and redox species in thermo-electrochemical cells", including imaging files (Paravision), ASCII, MATLAB and EC Lab data files organised corresponding to each figure in the paper and supplementary information.</p>
Data Set for Operando Identification of a Side-On Nickel Superoxide Intermediate and the Mechanism of Oxygen Evolution on Nickel Oxyhydroxide
<p>Dataset of the paper entitled "Operando Identification of a Side-On Nickel Superoxide Intermediate and the Mechanism of Oxygen Evolution on Nickel Oxyhydroxide"</p>
Operando electronic conductivity data - Perovskite protocol results
<p>Operando electronic conductivity data obtained from the microwave cavity perturbation technique using the perovskite protocol.</p> <p>Results of LaMn<sub>(1-x)</sub>Cu<sub>x</sub>O<sub>3</sub> and PrMn<sub>(1-x)</sub>Cu<sub>x</sub>O<sub>3</sub> samples with x = {0.00, 0.10, 0.20, 0.25, 0.30, 0.35, 0.40}</p> <p>Contents:</p> <ul> <li>instrument_data.zip contains raw instrument (MCPT and GC) data for the whole dataset</li> <li>protocols.pdf contains digitised <em>run protocols</em> for the whole dataset</li> <li>individual zip files contain the <em>schema</em>, <em>datagram</em>, and <em>parameter file</em> for each sample and reproduction, as well as an plot.png file and results.json file from dg2png / dg2json analysis</li> </ul> <p>Note that calibration files for the instrument are included at <a href="https://doi.org/10.5281/zenodo.5894835">DOI: 10.5281/zenodo.5894835</a>.</p> <p>Sample to archive matrix:</p> <ul> <li>30649 LaMnO<sub>3</sub>: 30649-01.zip</li> <li>30867 LaMn<sub>0.90</sub>Cu<sub>0.10</sub>O<sub>3</sub>: 30867-02.zip</li> <li>31180 LaMn<sub>0.80</sub>Cu<sub>0.20</sub>O<sub>3</sub>: 31180-03.zip</li> <li>30635 LaMn<sub>0.75</sub>Cu<sub>0.25</sub>O<sub>3</sub>: 30635-04.zip</li> <li>30659 LaMn<sub>0.70</sub>Cu<sub>0.30</sub>O<sub>3</sub>: 30659-01.zip</li> <li>30624 LaMn<sub>0.65</sub>Cu<sub>0.35</sub>O<sub>3</sub>: 30624-01.zip</li> <li>31285 LaMn<sub>0.60</sub>Cu<sub>0.40</sub>O<sub>3</sub>: 31285-01.zip</li> <li>30650 PrMnO<sub>3</sub>: 30650-01.zip</li> <li>31070 PrMn<sub>0.90</sub>Cu<sub>0.10</sub>O<sub>3</sub>: 31070-01.zip</li> <li>31021 PrMn<sub>0.80</sub>Cu<sub>0.20</sub>O<sub>3</sub>: 31021-01.zip</li> <li>30637 PrMn<sub>0.75</sub>Cu<sub>0.25</sub>O<sub>3</sub>: 30637-01.zip</li> <li>30934 PrMn<sub>0.70</sub>Cu<sub>0.30</sub>O<sub>3</sub>: 30934-01.zip</li> <li>31176 PrMn<sub>0.65</sub>Cu<sub>0.35</sub>O<sub>3</sub>: 31176-02.zip</li> <li>31163 PrMn<sub>0.60</sub>Cu<sub>0.40</sub>O<sub>3</sub>: 31163-01.zip</li> </ul>
Supporting Data for: Resolving high potential structural deterioration in Ni-rich layered cathode materials for lithium-ion batteries operando
<p>The following file contains supporting data for "Resolving high potential structural deterioration in Ni-rich layered cathode materials for lithium-ion batteries operando" manuscript.</p>
Data access - Operando characterization and theoretical modelling of metal|electrolyte interphase growth kinetics in solid-state-batteries - part I: experiments
<p>The zip file contains XPS and EIS data used in parts 1 and 2 of the publication entitled: "New insights into the kinetics of metal|electrolyte interphase growth in solid-state-batteries via an <em>operando</em> XPS analysis"</p> <p>Folders description: </p> <p>- "XPS" contains three subfolders with the XPS data and fitting models (in .vms format, CasaXPS) corresponding to the reference Na metal sample, the Na|NZSPas interface and Na|NZSPpolished interface</p> <p>- "EIS" contains two subfolders with the EIS data from the Na|NZSPas and Na|NZSPpolished symmetrical cells. The raw data is stored as .mpr files (EC-lab), and the fitted data is stored as .eis3 files (RelaxIS)</p>
Raw data: Electronic and Structural Property Comparison of a Novel vs. a Commercial Iridium-based OER Catalysts Enabled by Operando Ir L3-edge X-ray Absorption Spectroscopy
<p>Raw data for the manuscript titled:</p> <p><strong>Electronic and Structural Property Comparison of a Novel vs. a Commercial Iridium-based OER Catalysts Enabled by <em>Operando </em>Ir L3-edge X-ray Absorption Spectroscopy</strong></p> <p> </p>
Multihole water oxidation catalysis on hematite photoanodes revealed by operando spectroelectrochemistry and density functional theory
<p>Water oxidation is the key kinetic bottleneck of photoelectrochemical devices for fuel synthesis. Despite advances in the identification of intermediates, elucidating the catalytic mechanism of this multi-redox reaction on metal-oxide photoanodes remains a significant experimental and theoretical challenge. Here we report an experimental analysis of water oxidation kinetics on four widely studied metal oxides, focusing particularly upon hematite. We observe that hematite is able to access a reaction mechanism third order in surface hole density, assigned to equilibration between three surface holes and M(OH)-O-M(OH) sites. This reaction exhibits a remarkably low activation energy (E<sub>a</sub> ~ 60 meV). Density functional theory is employed to determine the energetics of charge accumulation and O-O bond formation on a model hematite 110 surface. The proposed mechanism shows parallels with the function of oxygen evolving complex of photosystem II, and provides new insights to the mechanism of heterogeneous water oxidation on a metal oxide surface.</p>
Si3N4 membrane breaks in ultrahigh vacuum during operando NEXAFS in solar hydrogen water splitting micro electrochemical cell
<p>This video was recorded 19 April 2012 during operando photoelectrochemical water splitting in a micro specroelectrochemical x-ray cell during NEXAFS beamtime at the Advanced Light Source in Berkeley. The window broke in the UHV chamber, when the potential was reversed with the potentiostat from 900 mV to lower potentials. Fortunately, we had already the light O1s x-ray absorption spectra in light on/off mode for the potentials up to 900 mV.</p>
Supporting datasets for "The need for Operando Modelling of 27Al NMR in Zeolites"
<p>tar of directory tree containing input files for VASP and CASTEP calculations of local geometries and NMR parameters (both static and dynamic) for systems described in the manuscript, including MOR and CHA in H and Na form and various water loadings.</p>
Source data for paper "Operando electron microscopy investigation of polar domain dynamics in twisted van der Waals homobilayers"
<p>Source data for paper "Operando electron microscopy investigation of polar domain dynamics in twisted van der Waals homobilayers"</p>
Probing the Electrical Double Layer by Operando X-ray Photoelectron Spectroscopy through a Graphene-Carbon Nanotube Composite Window
<p>Supporting information for Molecular Dynamics NAMD 2.0 simulations of BPY1,4-TFSI-Li ionic liquid mixture encased in cuboid graphene box for graphene window double layer calculations presented in submitted manuscript to Eco Mat journal.</p> <p>The files contain new developed parameters for BPY1,3-TFSI force field based on Gaussian09 DFT calculations and relevant PDB and PSF and configuration files for NAMD runs at 0, 1 and 3Volt.</p> <p>Abstract: </p> <p>The electrical double layer is known to spontaneously form at the electrode-electrolyte interface, impacting many important chemical and physical processes as well as applications including electrocatalysis, electroorganic synthesis, nanomaterial preparation, energy storage, and even emulsion stabilization. However, it has been challenging to study this fundamental phenomenon at the molecular level because the electrical double layer is deeply “buried” by the bulk electrolyte solution. Here, we report a quantitative probing of the electrical double layer of ionic liquids from the solid side of a photoelectron-transparent graphene-carbon nanotube hybrid membrane electrode using X-ray photoelectron spectroscopy. The membrane window is ultrathin (~1.5 nm), large (~1 cm<sup>2</sup>), and robust, enabling a tight seal of the electrolyte and quantitative measurement with excellent photoelectron signals. By <em>operando</em>monitoring the population changes of cations and anions in response to the applied electrical potentials, we experimentally resolve the chemical structure and dynamics of the electrical double layer, which corroborate results from molecular dynamics simulations.</p>
Operando electronic conductivity data - Handbook protocol results (other samples)
<p>Operando electronic conductivity data obtained from the microwave cavity perturbation technique using the Handbook protocol. Supplement to DOI: <a href="https://doi.org/10.5281/zenodo.5008960">10.5281/zenodo.5008960</a></p> <p>Results for other samples studied with the Handbook protocol.</p> <p>Contents:</p> <ul> <li>instrument_data.zip contains raw instrument (MCPT and GC) data for the whole dataset</li> <li>individual zip files contain the <em>schema</em>, <em>datagram</em>, <em>run protocol</em>,<em> </em>and <em>parameter file</em> for each sample and reproduction, as well as an plot.png file and results.json file from dg2png / dg2json analysis</li> </ul> <p>Note that calibration files for the instrument are included at <a href="https://doi.org/10.5281/zenodo.5894835">DOI: 10.5281/zenodo.5894835</a>.</p> <p>Sample to archive matrix:</p> <ul> <li>19760 silica gel: 19760-01.zip</li> <li>30649 LaMnO<sub>3</sub>: 30649-01.zip</li> <li>30650 PrMnO<sub>3</sub>: 30650-01.zip</li> <li>30869 Sm<sub>0.95</sub>MnO<sub>3</sub>: 30869-01.zip</li> <li>31034 V<sub>2</sub>O<sub>5</sub>: 31034-01.zip</li> <li>31652 MoVTeNbOx: 31652-01.zip</li> </ul>
Operando electronic conductivity data - Handbook protocol results
<p>Operando electronic conductivity data obtained from the microwave cavity perturbation technique using the Handbook protocol.</p> <p>Results of activated samples that were pretreated in propane oxidation, according to the Handbook for Catalysis.</p> <p>Contents:</p> <ul> <li>instrument_data.zip contains raw instrument (MCPT and GC) data for the whole dataset</li> <li>individual zip files contain the <em>schema</em>, <em>datagram</em>, <em>run protocol</em>,<em> </em>and <em>parameter file</em> for each sample and reproduction, as well as an plot.png file and results.json file from dg2png / dg2json analysis</li> </ul> <p>Note that calibration files for the instrument are included at <a href="https://doi.org/10.5281/zenodo.5894835">DOI: 10.5281/zenodo.5894835</a>.</p> <p>Sample to archive matrix:</p> <ul> <li>31804 MoVOx-C<sub>3</sub>: 31804-01.zip</li> <li>31821 MoVTeNbOx-C<sub>3</sub>: 31821-02.zip</li> <li>31836 Sm<sub>0.95</sub>MnO<sub>3</sub>-C<sub>3</sub>: 31836-02.zip</li> <li>31845 MoO<sub>3</sub>-C<sub>3</sub>: 31845-01.zip</li> <li>31846 V<sub>2</sub>O<sub>5</sub>-C<sub>3</sub>: 31846-01.zip</li> <li>31847 VOPO<sub>4</sub>·2H<sub>2</sub>O-C<sub>3</sub>: 31847-01.zip</li> <li>31848 β-VOPO<sub>4</sub>-C<sub>3</sub>: 31848-03.zip</li> <li>31849 VPP-C<sub>3</sub>: 31849-01.zip</li> <li>31850 α-V<sub>0.8</sub>W<sub>0.2</sub>OPO<sub>4</sub>-C<sub>3</sub>: 31850-01.zip</li> <li>31851 VWPOx-C<sub>3</sub>: 31851-01.zip</li> <li>32082 "VPP"-C<sub>3</sub>: 32082-01.zip</li> <li>32083 VPP-C<sub>3</sub>: 32083-01.zip</li> <li>32084 α-VOPO<sub>4</sub>-C<sub>3</sub>: 32084-01.zip</li> </ul>
RAW DATA: Operando Photoelectron Spectroscopy Analysis of Li6PS5Cl Electrochemical Decomposition Reactions in Solid-State Batteries
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In-operando visualization of redox flow battery in membrane-free microfluidic platform
<p>The video files are raw data of in-operando visualization of MFRFB that correspond to figure 2.C,E in manuscript.</p>
Supplementary data to 'Feedbacks and non-linearity of silicate glass alteration in hyperalkaline solution studied by in operando fluid-cell Raman spectroscopy'
<p>Additiona data to published article:</p> <p>Müller G., Fritzsche M. B. K., Dohmen L. and Geisler T. (2022) Feedbacks and non-linearity of silicate glass alteration in hyperalkaline solution studied by in operando fluid-cell Raman spectroscopy. Geochim. Cosmochim. Acta 329, 1–21.<a title="Persistent link using digital object identifier" href="https://doi.org/10.1016/j.gca.2022.05.013" target="_blank" rel="noreferrer noopener"><span><span>https://doi.org/10.1016/j.gca.2022.05.013</span></span></a></p>
original data for "Operando Surface Optical Reflectance Microscopy Study of Corrosion Film Growth on a Ni-Cr-Mo Alloy During Anodic Polarization"
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In-operando visualization of redox flow battery in membrane-free microfluidic platform
<p>These data sheets are voltage-capacity characteristics of in-operando visualization in terms of mass-, and charge-transfer. </p> <p> </p>
Operando Fe Dissolution in Fe-N-C Electrocatalysts during Acidic Oxygen Reduction: Impact of Local pH Change - Dataset
<p>Datasets for Figures in main manuscript of Operando Fe Dissolution in Fe-N-C Electrocatalysts during Acidic Oxygen Reduction: Impact of Local pH Change.</p>
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OpenNeuro
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