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16 results for “Niobium”
Dataset of "Glue-assisted Exfoliation of Two-dimensional Sulfur-rich Niobium Thiophosphate (Nb4P2S21) for Sulfur-equivalent Electrode Study in Lithium Storage"
<p>Two-dimensional (2D) layered thiophosphates have garnered attention for advanced batteries due to their open ionic diffusion channels, high capacity, and unique catalytic properties. However, their potential in energy storage applications remains largely unexplored. In this study, we report for the first time a 2D transition metal thiophosphate (Nb4P2S21) with high sulfur content. Nb4P2S21, synthesized via chemical vapor transport (CVT), is treated as a sulfur-equivalent material with better conductivity than sulfur, suitable for high-capacity lithium storage. The bulk material can be delaminated into high-quality nanoplates via glue-assisted grinding exfoliation, both displaying a layered quasi-one-dimensional (quasi-1D) morphology, which shortens the ion diffusion path and promises enhanced rate performance compared to larger lateral 2D materials. Density functional theory (DFT) calculations indicate that Nb4P2S21 has a direct bandgap of 1.64 eV (HSE06 method), with exfoliated counterparts showing near-infrared (NIR) photoluminescence at 755 nm, broadening potential applications to NIR-based devices. By tuning the working voltage window for lithium-ion batteries (LIBs) and controlling lithiation product formation, the material exhibits distinct electrochemical characteristics at 0 ~ 2.6 V, 0.5 ~ 2.6 V, 1.0 ~ 2.6 V, and 1.5 ~ 2.6 V. However, sulfur-rich electrodes in carbonate electrolytes demonstrate limited electrochemical potential due to polysulfide formation, leading to detrimental side reactions with carbonate-based electrolytes. Transitioning to ether-based electrolytes improves the initial reversible capacity and Coulombic efficiency of Nb4P2S21 by stabilizing the formed polysulfides. Despite this improvement, the material still mirrors the shuttle effect in lithium-sulfur batteries, diminishing active sulfur and undermining battery integrity. Further EDS and TOF-SIMS analyses of post-cycled electrode materials show significant sulfur loss and precipitation within the electrodes, exacerbating the shuttle effect and causing battery failure. Implementing strategies used in lithium-sulfur batteries, such as introducing polar host catalysts, could enhance the potential of these materials.</p>
Data for the extraction of the critical temperature of niobium films deposited on copper produced at CERN for SRF applications
<p>Each data set contains the voltage signal amplitude induced in a pickup coil by an alternating magnetic field, crossing the niobium-film-on-copper sample during its state transition from normal conducting to superconducting, the corresponding sample temperature and the estimated errors for the two measured quantities. File columns: #1 sample temperature in Kelvin, #2 estimated temperature error, #3 voltage amplitude in pickup coil in Volt, #4 estimated amplitude error.</p> <p>One data set corresponds to one sample. The critical temperature can be extracted as fit parameter by fitting the amplitude versus temperature data with a logistic function, where it corresponds to the half height of the state transition curve.</p>
METAS VNA Tools project of a niobium CPW in different conduction states at 4 Kelvin, 10 Kelvin and at 25 Kelvin
<p>A METAS VNA Tools project which contains S-parameter data of a plain CPW line on a 1cmx1cm silicon chip made from intrinsic silicon. The chip is operated at 4 Kelvin, 10 Kelvin and 25 Kelvin with currents up to 200 mA for further heating injected. The temperature, current and DC resistance are noted in each filename.</p>
Calculated O K-edge XAS Spectra of Niobium Oxide Phases using Bethe-Salpeter equation
<p>X-ray absorption spectra (XAS) were calculated for the oxygen K-edge for 20 different phases of Niobium oxides (NbO<sub>x</sub>) using the Bethe-Salpeter equation as implemented within the OCEAN code. Fifteen of the NbO<sub>x</sub> phases are amorphous, in which nine are stoichiometric Nb<sub>2</sub>O<sub>5</sub>, and slightly off-stoichiometric containing a variety of different defects. The other five structures are different crystalline phases (with spacegroup): NbO (Pm3m), NbO<sub>2</sub> (P4<sub>2</sub>/mnm), N-Nb<sub>2</sub>O<sub>5</sub> (C<sub>2</sub>/m), M-Nb<sub>2</sub>O<sub>5</sub> (I4/mmm), and B-Nb<sub>2</sub>O<sub>5</sub> (C<sub>2</sub>/c). The data is given in terms of four different folders: (1) VASP POSCARs for amorphous structures (called amorph_POSCARs), (2) VASP POSCARs for crystalline structures (called crystalline_nboxide_structures), (3) OCEAN outputs for amorphous structures (called amorph_U4), and (4) OCEAN outputs for crystalline structures (called cryst_U4). The 'amorph_U4' folder contains subfolders for each structure, and within each subfolder is a 'Results' folder containing the OCEAN input and output files, including individual XAS spectra for each individual oxygen atom in the structure. The organization of the 'cryst_U4' folder structure is the same as the 'amorph_U4' folder.</p> <p>To calculate the XAS spectra within the OCEAN code, we first performed DFT (using Quantum Espresso) with an energy cut-off of 92 Ryd., and a simplified Hubbard U of 4 eV was applied to the Nb <em>d</em> orbitals. The `O-high' and `Nb-sp' pseudopotentials from PseudoDojo were used. For the BSE, the electron orbitals were down-sampled onto real space grids chosen to match 1 grid point per 1 a.u., the k-point meshes were chosen to exceed 1 grid point per 0.16 a.u.<sup>-1</sup>, and the number of conduction bands was set to 0.126 times the unit cell volume (in a.u.<sup>3</sup>). <br> For the screening, electron orbitals were calculated on k-point meshes exceeding 1 grid point per 0.56 a.u.<sup>-1</sup>, and the number of conduction bands was set to 0.437 times the unit cell volume (in a.u.<sup>3</sup>).<br> A Lorentzian core-hole broadening of 0.07 eV was included, and additional Gaussian broadening of 0.5 eV was applied.</p>
Amorphous Niobium Oxide Structures Calculated from First Principles using Density Functional Theory and Molecular Dynamics
<p>The dataset contains fifteen different amorphous niobium oxide structures. Nine of the structures have the same stoichiometry as Nb2O5. The other six are defect structures containing 1 or 2 oxygen vacancies, or 1 or 2 interstitial oxygens, or 1 Nb vacancy. Each of the structure files is in the VASP POSCAR file format. Each structure was created using ab-initio molecular dynamics at 5000~K to liquidate the structure, then snapshots of the structure were taken every 2 ps, and geometry optimizations were performed on each individual snapshot. The naming convention is relatively simple: 'conf_x_POSCAR' is a stoichiometric POSCAR, and 'conf_x_oadd1_POSCAR' is a defect structure originating from structure 'x' with a single oxygen interstitial. The defect labels correspond to 1 oxygen interstitial (oadd1), 2 oxygen interstitials (oadd2), 1 oxygen vacancy (ovac1), 2 separated oxygen vacancies (ovac2), 2 nearest neighbor oxygen vacancies (ovac2nn), and 1 Nb vacancy (nbvac).</p>
Dataset for: Non-Markovian effects of two-level systems in a niobium coaxial resonator with asingle-photon lifetime of 10 milliseconds
<p> Datasets for the publication "Non-Markovian effects of two-level systems in a niobium coaxial resonator with asingle-photon lifetime of 10 milliseconds ", Physical Review Applied (2021). The upload contains the data as well as the evalationb routines to repdroduce the figures in the publication.</p>
Niobium speciation in minerals revealed by L2,3-edges XANES spectroscopy
<p>This metadata file gathers crystal-chemical, crystallographic and spectroscopic raw data supporting the manuscript entitled “Niobium speciation in minerals revealed by L<sub>2,3</sub>-edges XANES spectroscopy“ submitted to <em>American Mineralogist</em>. </p> <p><strong>EMP_natural_references:</strong> spreadsheet compiling crystal-chemical data of the Nb geological references (columbite, fluorcalciopyrochlore, hydropyrochlore, latrappite, niocalite) obtained from electron microprobe analysis (EMP_crystal_chemistry_references.xls). </p> <p><em>Analyses were conducted on a CAMECA SX Five electron at the CAMPARIS facility (Sorbonne Universite, Paris). Two to seven spots were probed for each sample at 15 kV and 40 nA for the major elements and at 15 kV and 299 nA for minor and : trace elements. WDS analyses were performed using the following standards: albite for Na, diopside for Mg, Si and Ca, orthoclase for Al and K, MnTiO<sub>3</sub> for Mn and Ti, hematite for Fe, BaSO<sub>4</sub> for Ba; topaze for F, LiNbO<sub>3</sub> for Nb, metallic Ta for Ta, SrSi for Sr, zircon for Zr, galena for Pb, monazite for Th, uraninite for U, and REE-bearing silicates for for Y, La, Ce, Nd.</em></p> <p><strong>XANES_spectra: </strong>raw X-ray absorption data files (.dat). There are either one or two files per sample (_01/_02). Amounts of Nb in Ti oxide samples are mentionned in file titles (Nb1pc/Nb5pc/Nb10pc). </p> <p><em>Niobium L<sub>2,3-</sub>edges XANES spectra were recorded on the LUCIA beamline of the SOLEIL synchrotron radiation facility (Gif-sur-Yvette, France) operating with a storage ring current of 450 mA and energy of 2.75 GeV. A double crystal Si(111) monochromator crystal was used with an energy resolution of 0.25 eV at 2400 eV and calibrated at this energy using Nb<sub>2</sub>O<sub>5</sub>.</em></p> <p><strong>XRD_geological_references:</strong> spreadsheet compiling crystal-cell parameters obtained from the reduction of single-crystal XRD data (geological_samples_crystal_cell_data.xls). The number of reflections indexed and teta range of measurement are specified.</p> <p><em>An Agilent Diffraction Xcalibur-S diffractometer equipped with a Sapphire CCD-detector with Mo K-α<sub>1</sub> radiation (λ = 0.71073 Å, graphite monochromator) was used at room temperature. Data reduction, cell refinement and space group determination were performed using CrysAlisPro software. </em></p> <p><strong>XRD_synthetic_samples:</strong> XRD data obtained for the synthetic samples (.csv/.xrdml). Amounts of Nb in Ti oxide samples are mentionned in file titles (Nb1pc/Nb5pc/Nb10pc). </p> <p><em>X-ray diffraction was performed with a PANALYTICAL X’pert Pro MPD diffractometer. Measurements were carried out in Bragg-Brentano geometry using a Co K-α anode in order to minimize the X-ray absorption of Fe in iron oxide synthetic compounds. Data were recorded with an X’Celerator detector between 3 ° 2θ and 90 ° 2θ with 0.017 ° steps. Incident beam mask was fixed at 20 mm and soller slits at 0.04 rad.</em></p>
Atomic-scale environment of niobium in minerals as revealed by X-ray absorption spectroscopy at the Nb K-edge
<p>This data set provides the raw EXAFS and XRD data of the manuscript '<strong>Atomic-scale </strong><strong>environment of niobium in minerals as revealed b</strong><strong>y </strong><strong>X-ray absorption spectroscop</strong><strong>y at the Nb </strong><strong>K</strong><strong>-edge'</strong> submitted to European Journal of Mineralogy.</p> <p>- EXAFS data files were converted into .txt for more accessibility. <em>Pcl</em> is the abbreviation for <em>pyrochlore. </em>The files are accoridngly labelled.</p> <p>- XRD data files for synthetic Nb-doped compounds start with 'XRD_...'.</p> <p>- The refined crystal structure of hydropyrochlore is 'hydropcl_01.cif' file.</p> <p> </p> <p> </p>
Mechanisms leading to exceptional niobium concentration during lateritic weathering: the key role of secondary oxides
<p>This dataset supports the publication entitled: 'Mechanisms leading to exceptional niobium concentration during lateritic weathering: the key role of secondary oxides' submitted to <em>Chemical Geology</em> journal.</p> <p>Data include:</p> <p>- EPMA data: 'Fe_ox_EPMA', ...</p> <p>- XRD data: 'SL_02.dat', ...</p> <p>- XAS data on bulk samples 'XAS_SL_12_meascan3'...</p> <p>- EXAFS data: 'EXAFS_nbbrookite_R_space.csv', ...</p> <p><strong>SL02: Fragmented laterite/SL04: Fragmented laterite/SL12: Upper purple laterite/SL14: manganiferous laterite/SL23: lower purple laterite/SL31: brown laterite/SL_CARB: Core siderite carbonatite</strong></p>
Data and code for "Niobium Quantum Interference Microwave Circuits with Monolithic Three-Dimensional (3D) Nanobridge Junctions"
<p>Data and measurements scripts for the paper "Niobium Quantum Interference Microwave Circuits with Monolithic Three-Dimensional (3D) Nanobridge Junctions"</p> <p>The package "stuelab" used in the scripts is also included. <br><br>Funding by the Deutsche Forschungsgemeinschaft (DFG) via Grants No. BO 6068/1-1, No. BO 6068/2-1, and No. KO 1303/13-2, and support from the COST actions NANOCOHYBRI (CA16218) and SUPERQUMAP (CA21144)</p>
Dataset for publication "Decoding Niobium Carbide MXene Dual Functional Photoactive Cathode in Photoenhanced Hybrid Zinc-Ion Capacitor"
<p>This is a dataset for publication "Decoding Niobium Carbide MXene Dual-Functional Photoactive Cathode in Photoenhanced Hybrid Zinc-Ion Capacitor". It contains all relevant data from the aforementioned publication. The details about how to read these data is contained within the readme file.</p>
Dataset for 2D Rhenium- and Niobium-Doped WSe2 Photoactive Cathodes in Photo-Enhanced Hybrid Zn-Ion Capacitors
<p>The dataset contains all relevant data and figures regarding the manuscript "2D Rhenium- and Niobium-Doped WSe2 Photoactive Cathodes in Photo-Enhanced Hybrid Zn-Ion Capacitors".</p> <p>All Figures are in tiff format and all relevant data are in csv formats. </p> <p>The data in csv format are labelled as specified in the corresping images (e.g. Figure 1a csv file corresponds to data used to plot graphs from Figure 1a etc.). </p> <p>Axis labeling and units are always specified at the beginning of individual columns. If more than one curve was plotted from the csv file, the conditions can also be found at the beginning of corresponding columns.</p>
Multiscale processes controlling niobium mobility during supergene weathering
<p>This metadata file gathers diffraction, spectroscopic and geochemical raw data supporting the manuscript entitled “<strong>Multiscale processes controlling niobium mobility during supergene weathering</strong>“ submitted to <em>Geochimica et Cosmochima Acta</em>.</p> <p><strong>- X-ray diffraction:</strong> "spinner_PIMI_xx.xrdml". Duricrust: PIMI01, 02. Bauxitic horizon: PIMI03. Lateritic horizon: PIMI04, 05. Clayey mottled zone: PIMI06,07.</p> <p><strong>- X-ray absorption data:</strong></p> <p><strong>1) References: </strong>"XAS_L3/K-EDGE_<em>references</em>". Raw X-ray absorption spectra of Nb mineralogial references at the Nb L<sub>3</sub>- and K-edges.</p> <p><strong>2) Bulk sample of laterite: </strong>"XAS_L3/K-EDGE_<em>pimi_XX</em>". Raw X-ray absorption spectra of lateritic bulk samples from Pitinga.</p> <p><strong>3) Microanalyses: </strong>"MICRO_XAS_L3_<em>minerals</em>". Micro-XAS spectra collected on thin sections from Pitinga.</p> <p>- <strong>Bulk chemistry </strong>"geochemistry_pitinga". Bulk geochemical analyses of Pitinga lateritic regolith.</p>
Dataset for "Glue-assisted Exfoliation of Two-dimensional Sulfur-rich Niobium Thiophosphate (Nb4P2S21) for Sulfur-equivalent Electrode Study in Lithium Storage"
<p>Dataset for "Glue-assisted Exfoliation of Two-dimensional Sulfur-rich Niobium Thiophosphate (Nb4P2S21) for Sulfur-equivalent Electrode Study in Lithium Storage"</p> <p>The dataset contains all relevant data and figures regarding the manuscript "Glue-assisted Exfoliation of Two-dimensional Sulfur-rich Niobium Thiophosphate (Nb4P2S21) for Sulfur-equivalent Electrode Study in Lithium Storage".</p> <p>All Figures are in tiff format and all relevant data are in csv formats. </p> <p>The data in csv format are labelled as specified in the corresping images (e.g. Figure 1a csv file corresponds to data used to plot graphs from Figure 1a etc.). </p> <p>Axis labeling and units are always specified at the beginning of individual columns. If more than one curve was plotted from the csv file, the conditions can also be found at the beginning of corresponding columns.</p>
Effectiveness of Titanium Niobium Nitride Coating in Total Knee Arthroplasty
ClinicalTrials.gov study NCT02831595. IPD Sharing: Not stated. Countries: 0. Publications: 0.
Dataset - The effect of the sodium content on the structure and the optical properties of thermally poled sodium and niobium borophosphate glasses
<p>Dataset linked to the article: The effect of the sodium content on the structure and the optical properties of thermally poled sodium and niobium borophosphate glasses. Lara Karam, Frédéric Adamietz, Vincent Rodriguez, Flavie Bondu, Antoine Lepicard, Thierry Cardinal, Evelyne Fargin, Kathleen Richardson, Marc Dussauze. Journal of Applied Physics. 2020, volume 128.</p> <p>The data collected correspond to the optical properties of the different glasses (indices and second order optical response, raw data and fit).</p> <p>Format: .txt</p> <p> </p>
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