Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
41
datasets available to search
ShareScore release 0.9.0
Dataset results
41 results for “X-ray spectroscopy”
Electron microscopy, energy-dispersive X-ray spectroscopy, & X-ray diffraction data from: Duck-billed dinosaur fleshy midline and hooves reveal terrestrial clay-template “mummification”
Open the record for dataset details and reuse information.
Studying energy materials under operating conditions by X-ray absorption spectroscopy using the new OÆSE endstation at BESSY II
<div>For the "Predicted undulator gap offset", ID of binary files in "undulator gap detuning" folder are:</div> <div>[474,475,476,477,478] for oxygen K-edge measurements with corresponding offset gap values of [20,15,10,5,-1.672]</div> <div>[466,468,469,470,472,473] for nickel L23-edge measurements with corresponding offset gap values of [30,43,35,10,20,-1.672]</div> <div> <div> </div> <div>For the "Beam blocking between data acquisition" data, files uploaded for "maximum flux" ("high_dose_5MH3PO3.txt") and "beam blocker" ("low_dose_5MH3PO3.txt")</div> <div> </div> <div>For the "Operation of the cell at different temperatures" data, files uploaded for 25°C ("CV_planarPt_5MH3PO3_25C.txt") and for 72°C ("CV_planarPt_5MH3PO3_72C.txt")</div> <div> <div> </div> <div> <div>For the "Detuning the undulator gap minimizes the radiation-induced oxidation" plot, in the "Undulator detuning P K-edge" folder the files are:</div> </div> </div> <div> <div>["w_AuMesh,Ugap=6p0_I0=58nA_t=10min.txt",</div> <div>"w_Aumesh_Ugap=6p15_I0=9nA_t=20min.txt",</div> <div>"w_AuMesh_Ugap=6p11_I0=18nA_t=30min.txt",</div> <div>"w_AuMesh_Ugap=6p05_I0=40nA_t=40min.txt"] with [100,69,31,16]% of maximum flux respectively</div> <div>"aqueous_1M_H3PO3_exp_PK_XAS.txt" and "aqueous_1M_H3PO4_exp_PK_XAS.txt" are the reference spectra of aqueous 1M H3PO3 and 1M H3PO4 respectively</div> <div> </div> <div> <div>For the "Variation of the position of the irradiated sample", in the "NCA degradation damage" folder the files are:</div> <div> <div>[1271,1272,1273] for oxygen K-edge measurement for 1st, 2nd and 3rd scan in the same position</div> <div>[1297,1298,1299] for nickel L3-edge measurement for 1st, 2nd and 3rd scan in the same position</div> <div>[1304] for nickel L3-edge spectra for measurement in a new position</div> </div> </div> <div> </div> <div>For the "Cu samples electrodeposited under different conditions " in the "Different Cu electrodeposition protocols" folder, the files are:</div> <div>at the Cu L3-edge:</div> <div> <div>electrolyte = "Scan_1107_2022_10_08_aq_CuSO4.sdat"</div> <div>Cu2O = "Scan_2020_2022_11_02_Cu2O_in_CuSO4.sdat"</div> <div>Cu = "Scan_2028_2022_11_02_Cu_in_CuSO4.sdat"</div> <div>at the Cu K-edge:</div> <div> <div>electrolyte = "Scan_2007_2022_11_02_aq_CuSO4.dat"</div> <div>Cu2O = "Scan_2021_2022_11_02_Cu2O_in_CuSO4.dat"</div> <div>Cu = "Scan_2033_2022_11_02_Cu_in_water.dat"</div> <div>and the electrochemistry:</div> <div>"scan_2027" for the Cu electrodeposition</div> <div>"3_ED_CA_XXX_CuSO4_RHE_YYY.mpr" for the 5 files related to the Cu2O electrodeposition</div> </div> </div> </div> <div> </div> <div>The spectromicrographs are the files:</div> <div>1247 for the TFY mode</div> <div>1248 for the PFY mode</div> <div> </div> <div>The FEXRAV signals are given by the following IDs:</div> <div> <div> <div>[1998,2002,2009] for the chemical species ["sXAS-Main peak (Cu2O)","sXAS-Secondary peak (Cu(0))","hXAS-Main peak"]</div> </div> </div> <div> </div> </div>
Computational data for "Measurement of Coherent Vibrational Dynamics with X-ray Transient Absorption Spectroscopy Simultaneously at the Carbon K- and Chlorine L$_{2,3}$- Edges"
<p>Contains:<br><br>1. Code for and results from, time-dependent Schroedinger equation simulations for the molecular normal modes under strong electric fields inducing impulsive stimulated Raman processes.</p> <p>2. Molecular orbitals obtained from ROKS calculations for the C 1s and Cl 2p excited states (with spin-free one-electron X2C). </p>
Decoding the Pair Distribution Function of Uranium in Molten Fluoride Salts from X-ray Absorption Spectroscopy Data by Machine Learning
<p>The repo contains all codes and data related to the JPCC publication entitled "Decoding the Pair Distribution Function of Uranium in Molten Fluoride Salts from X-ray Absorption Spectroscopy Data by Machine Learning"</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>
Chemical and Structural In-Situ Characterization of Model Electrocatalysts by Combined Infrared Spectroscopy and Surface X-Ray Diffraction
<p>Raw and treated data</p>
Exploring the chemical and structural change of copper porphyrins upon charging by means of synchrotron X-ray absorption spectroscopy
<h2><span>Abstract</span></h2> <p><span>In response to the growing demand for battery materials, researchers explore alternative resources with a focus on sustainability. Among these, organic electrode materials—including porphyrins—have emerged as promising candidates due to their advantageous properties, such as rapid charging capabilities and high energy densities. However, despite their potential, the precise charging mechanism of these alternatives remains elusive. To address this gap, our study delved into copper porphyrins, with a primary focus on [5,15-bis(ethynyl)-10,20-diphenylporphinato] copper(II) (CuDEPP). Employing synchrotron X-ray absorption spectroscopy in <em>operando</em> mode, we probed the evolution in chemical and electronic structure of Cu in CuDEPP. Our findings unequivocally demonstrate the participation of copper as a redox center during reversible charge storage, shedding light on its superior electrochemical performance. Furthermore, a combined approach involving extended X-ray absorption fine structure (EXAFS) studies and theoretical calculations provided deeper insights into the observed structural distortion during the charge storage process. Notably, our results support the hypothesis that redox processes, specifically those involving the aromatic porphyrin ring, drive the electrochemical activity of CuDEPP. In summary, our investigation offers important insights into the charging mechanism of copper porphyrins—an essential step toward advancing sustainable organic materials for batteries. </span></p>
Hard X-ray photoelectron spectroscopy probing Fe segregation during oxygen evolution reaction
Open the record for dataset details and reuse information.
Supplementary Data for Manuscript : "Application of OSL surface exposure dating with the use of two-dimensional OSL laser scanning instruments and energy-dispersive x-ray spectroscopy'
<p>Contains all supplementary works mentioned in the manuscript.</p>
Data for "Femtosecond Symmetry Breaking and Coherent Relaxation of Methane Cations via X-ray Spectroscopy"
<p>This repository contains all the data and scripts needed to obtain the figures reported in the manuscript.</p> <p>The experimental data are processed using Matlab R2022a. </p>
Extended X-ray absorption spectroscopy using an ultrashort pulse laboratory-scale laser-plasma accelerator
<p>The data contained in this repository was used in the production of the publication "Extended X-ray absorption spectroscopy using an ultrashort pulse laboratory-scale laser-plasma accelerator"</p>
Supplementary Documents for Manuscript 'Investigating the use of two-dimensional OSL laser scanning instruments and energy-dispersive x-ray spectroscopy for OSL exposure dating'
<p>Appendix Data for Manuscript 'Investigating the use of two-dimensional OSL laser scanning instruments and energy-dispersive x-ray spectroscopy for OSL exposure dating' - with added "Readme's" for relevant databases.</p>
Supplementary Documents for Manuscript 'Investigating the use of two-dimensional OSL laser scanning instruments and energy-dispersive x-ray spectroscopy for OSL exposure dating'
<p>This file contains all the supplementary material for the manuscript 'Investigating the use of two-dimensional OSL laser scanning instruments and energy-dispersive x-ray spectroscopy for OSL exposure dating' sent to Radiation Measurements on 8/20/2023.</p>
Deep core level hard X-ray photoelectron spectroscopy for catalyst characterization
<p>Dataset of "Deep core level hard X-ray photoelectron spectroscopy for catalyst characterization"</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>
Raw data for analysis in AI-NERD: Elucidation of Relaxation Dynamics Beyond Equilibrium Through AI-informed X-ray Photon Correlation Spectroscopy
Open the record for dataset details and reuse information.
Supplementary data for the manuscript "Aqueous phase behavior of glyoxal and methylglyoxal observed with carbon and oxygen K-edge X-ray absorption spectroscopy".
<p>XAS carbon and oxygen K-edge measurements of aqueous solutions of glyoxal and methylglyoxal and their mixtures with sodium chloride and ammonium sulfate. XAS oxygen K-edge measurements of aqueous glycerol and mixtures with the above-mentioned inorganic salts.</p>
Biomonitoring of Environmental Pollution: An Exploratory Investigation Using Mosses and X-Ray Fluorescence(XRF) Spectroscopy
<p>Raw data and voucher information used for a study</p>
Electronic structure fingerprints of nickel-cobalt-manganese oxide from x-ray spectroscopy and high-throughput ab initio calculations
<p>AiiDA archives of the calculations presented in the paper "Electronic structure fingerprints of nickel-cobalt-manganese oxide from x-ray spectroscopy and high-throughput <em>ab initio</em> calculations".</p> <p> </p> <ul> <li>structures_and_general_info.aiida: The "EnumlibCalcJob" to generate the structural candidates, the resulting initial structures and AiiDA "Dict" nodes containing the mapping of the different steps (via their corresponding <em>uuid</em>) to each structure.</li> <li>pre_optimization.aiida: The relevant calculations to perform the pre-relaxation.</li> <li>optimization.aiida: The relevant calculations to perform the final structural optimization.</li> <li>electronic_structure.aiida: The bandstructure and DOS/PDOS calculations. All preliminary calculations such as SCF and NSCF calculations to obtain the eigenvalues are included as well.</li> </ul> <p>Finally, the Pandas DataFrame containing the PDOS for each site of all the structures (resolved into orbital and spin contributions) which builds the foundation for the presented analysis is stored in the `pickle` format in `pdos_all.pckl`.</p>
Advancement and New Optimizations of Microcalorimeter Arrays for High-Resolution Imaging X-ray Spectroscopy Project
"We propose to continue our successful research program in developing x-ray microcalorimeter arrays for astrophysics. This development will directly benefit not only the International X-ray Observatory (IXO), but also other possible mission concepts. We will investigate various array and pixel optimizations such as would be needed for large arrays for surveys, or arrays of fast pixels optimized for neutron star burst spectroscopy. The main emphasis of our research will be the further development of arrays of superconducting transition-edge sensors (TES) for imaging x-ray spectroscopy. We have developed a TES pixel that achieves better than 2.5-eV resolution at 6 keV, and arrays of such pixels that are sufficiently uniform in characteristics as to permit common biasing without significant compromises in the operation of any pixel. We are also making arrays of position sensitive TES pixels that show promise for use on IXO. We propose to advance both the single-pixel and position-sensitive arrays so that we can produce arrays suitable for subsystem-level read-out demonstrations of the IXO X-ray Microcalorimeter Spectrometer focal plane. Additionally, we propose to re-evaluate out successful pixel design which, while certainly suitable for use in developing the architecture of arrays and addressing detector systems issues, is not necessarily the final optimization. The performance of a TES depends on the functional form of the current, temperature, and magnetic-field dependence of the resistive transition, and also on the noise at each point on this transition surface. The parameters that describe this transition surface occupy a large phase space, and we have only probed a small portion of it. We propose to fabricate a series of test devices to explore other parts of the phase space and to learn how to engineer the superconducting transition. Recently, our understanding of the physical effects governing the observed resistive transitions has improved, th
ScienceDex guides
Understand access before you commit
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.