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.
28
datasets available to search
ShareScore release 0.9.0
Dataset results
28 results for “electronic spectroscopy”
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.
Short-Range Electronic Interactions between Vanadium and Molybdenum in Bimetallic SAPO‑5 Catalysts Revealed by Hyperfine Spectroscopy
<ul> <li><strong>Data type</strong>: Experimental spectroscopic measurements, Computer Simulation and Analysis</li> <li>Files are with filename extensions: <strong>DSC</strong>, <strong>DTA</strong>, and <strong>m</strong>.</li> <li>Information on <strong>origin of the data</strong>: <ul> <li>EPR spectroscopic measurements with filename extensions <strong>DSC</strong> and <strong>DTA</strong></li> <li>EPR spectroscopic simulation and analyses with filename extension<strong> m</strong></li> </ul> </li> <li>Are the data <strong>generated</strong> (e.g. by a machine) or <strong>collected</strong> (e.g. by means of a survey)? <ul> <li>X-band CW-EPR spectroscopic measurements were generated by EMX spectrometer equipped with SHQ cavity produced by Bruker.</li> <li>Q-band Pulsed-EPR spectroscopic measurements were generated by ELEXYS 580 EPR spectrophotometer equipped with ER5106QT cavity and ER035 M NMR gaussmeter produced by Bruker.</li> </ul> </li> <li><strong>If the dataset includes multiple files that relate to each other:</strong> <ul> <li>Files in <strong>PARACAT_WP4_20230612_01_CW </strong>folder includes CW-EPR spectroscopic measurements and computer simulations/analyses, original data are in DTA/DSC formats; simulations in m format.</li> <li>Files in <strong>PARACAT_WP4_20230612_02_Pulse</strong> folder includes Pulsed-EPR spectroscopic measurements and computer simulations/analyses, original data are in DTA/DSC formats; files in m format were used to process the data.</li> </ul> </li> <li><strong>Information on</strong>: <ul> <li>specialized abbreviations: <strong>EPR</strong> – Electron Paramagnetic Resonance, <strong>CW</strong> – Continuous Wave EPR, <strong>HYSCORE </strong>– HYperfine Sublevel CORrelation spectroscopy</li> <li>definitions of variables: <strong>Magnetic field, Temperature</strong></li> <li>units of measurement: <strong>Gauss (G), K</strong></li> </ul> </li> </ul>
Unveiling the atomistic and electronic structure of NiII–NO adduct in a MOF-based catalyst by EPR spectroscopy and quantum chemical modelling
<p><strong>Description of the dataset: </strong></p> <ul> <li><strong>Data type</strong>: Experimental spectroscopic measurements, computer simulation and analysis</li> <li>Files are with filename extensions: <strong>DSC</strong>, <strong>DAT</strong>, <strong>m</strong>, <strong>txt</strong></li> <li>Information on <strong>origin of the data</strong>:</li> </ul> <ul> <li>EPR spectroscopic measurements with filename extensions <strong>DSC</strong>, <strong>DTA.</strong></li> <li>EPR spectroscopic simulation and analyses with filename extension <strong>m</strong>.</li> <li>EPR spectra are exported as <strong>txt</strong> files in ASCII format.</li> </ul> <ul> <li>X-band CW-EPR spectroscopic measurements were generated by EMX spectrometer equipped with SHQ cavity produced by Bruker.</li> <li><strong>If the dataset includes multiple files that relate to each other:</strong> <ul> <li>Files in <strong>PARACAT_WP4_20230706_01_CW_Xband </strong>folder includes X-band CW-EPR spectroscopic measurements; original data are in DTA/DSC and txt formats.</li> <li>Files in <strong>PARACAT_WP4_20230706_02_HYSCORE </strong>and <strong>PARACAT_WP4_20230706_03_ENDOR </strong>folders include X-band HYSCORE and ENDOR data; original data are in DTA/DSC and txt formats.</li> <li>Files in <strong>PARACAT_WP4_20230706_ 04_MATLAB</strong> and<strong> PARACAT_WP4_20230706_ 05_Modelling</strong> folders include matlab and computer simulations/analyses of the EPR measurements; data are in m and txt formats.</li> <li>File <strong>PARACAT_WP4_20230706_ 06_Origin</strong> include origin plotted data</li> </ul> </li> </ul> <p> </p> <ul> <li><strong>Information on</strong>: <ul> <li>specialized abbreviations: <strong>MFU– </strong>MFU-4l:NO<sub>2</sub> MOF material</li> <li>NiNO – NO adsorbed MFU-4l:NO<sub>2</sub> MOF</li> <li>@10K – measured at 10 K</li> <li>definitions of variables: <strong>Magnetic field, Temperature.</strong></li> <li>units of measurement: <strong>Gauss (G), K, degree (°), milliTesla (mT)</strong>.</li> </ul> </li> </ul>
Data bundle for "Advancing characterisation with statistics from correlative electron diffraction and X-ray spectroscopy, in the scanning electron microscope"
<p>Prepared by Tom McAuliffe (t.mcauliffe17@imperial.ac.uk)</p> <p>This repository is a release of the raw data and analysis results for: 'Advancing characterisation with statistics from correlative <br> electron diffraction and X-ray spectroscopy, in the scanning electron microscope' <br> https://doi.org/10.1016/j.ultramic.2020.112944</p> <p>The raw data is given as 'RawData.h5' - this contains patterns, spectra, and metadata in the Bruker-exported format.</p> <p>Outputs of our analysis code (which will be made available via AstroEBSD) are contained in 'PCA_Outputs' subfolders. Exported plots and <br> .mat results files are contained within. These are organised by Figure number in the paper.</p> <p>The provided results are divided into two major sections:<br> (1) Variation in the variance tolerance limit (and corresponding numbers of retained components), and the weighting of the PCA in favour of EBSD or EDS information.<br> RCCs are validated by cross-correlation with the corresponding raw data point pattern and/or spectrum. <br> (2) Full outputs of PCA analysis having varied the weighting parameter. This contains IPF maps, quantified chemical maps, PC scores, and label maps. <br> </p>
Data for: Probing electron and hole co-localization by resonant four-wave mixing spectroscopy in the extreme-ultraviolet
<p>Data for: Probing electron and hole co-localization by resonant four-wave mixing spectroscopy in the extreme-ultraviolet</p>
Deciphering hot- and multi-exciton dynamics in core–shell QDs by 2D electronic spectroscopies
<p>2D spectroscopy datasets from PCCP 20 (2018) 18176, DOI: 10.1039/c8cp02574f</p> <p>Dasets are in the Matlab format .mat, each one containing:</p> <p>R(or N or T).X = 3-dimensional matrix containing 3d signal. dimensions=(w1,w3,t2)<br> R.t= t2 axis<br> R.f= w1=w3 axis</p> <p> </p> <p>R=rephasing; N=non-rephasing; T=total signal</p> <p>2D-BC=2D photon echo in BOXCARS configuration; 2D-PP= 2D pump-probe in quasi-collinear configuration.</p>
Dataset: Correlative Light, Electron Microscopy and Raman Spectroscopy Workflow to Detect and Observe Microplastic Interactions with Whole Jellyfish
<p>ABSTRACT</p> <p>Many researchers have turned their attention to understanding microplastic interaction with marine fauna. Efforts are being made to monitor exposure pathways and concentrations, and to assess the impact such interactions may have. To answer these questions, it is important to select appropriate experimental parameters and analytical protocols. This study focuses on medusae of <em>Cassiopea andromeda</em> jellyfish: a unique benthic jellyfish known to favor (sub-)tropical coastal regions which are potentially exposed to plastic waste from land-based sources. Juvenile medusae were exposed to fluorescent poly(ethylene terephthalate) and polypropylene microplastics (< 300 µm), resin embedded, and sectioned before analysis with confocal laser scanning microscopy as well as transmission electron microscopy and Raman Spectroscopy. Results show the fluorescent microplastics were stable enough to be detected with the optimized analytical protocol presented, and that their observed interaction with medusae occurs in a manner which is likely driven by the microplastic properties (<em>e.g.</em> density, hydrophobicity).</p>
Dataset used in manuscript Tailored Nanoscale Plasmon-Enhanced Vibrational Electron Spectroscopy
<p>This file contains the raw dataset used in the manuscript "Tailored Nanoscale Plasmon-Enhanced Vibrational Electron Spectroscopy" published in L. H. G. Tizei et al Nano Letters, 2020 (doi: 10.1021/acs.nanolett.9b04659)</p> <p><br> Data has been acquired using Nion Swift (https://nionswift.readthedocs.io/en/stable/). Experimental details can be found in L. H. G. Tizei et al Nano Letters, 2020 (doi: 10.1021/acs.nanolett.9b04659).<br> <br> The dataset has been analyzed using the following Python libraries:</p> <p>Numpy, Scipy, Hyperspy, Matplotlib</p> <p>EELS hyperspectral images have been aligned using the Hyperspy "align1D" method. Aligned EELS hyperspectral images are saved in files finished with "_Aligned.hspy":</p> <p>For the strong coupling experiments:<br> Tip 1 is on hBN<br> Tip 2 is on vacuum</p> <p>For each of the nanowires tips, a file with the fitted coefficients are available, as well as a plot of the data and the fitted curve.</p> <p>Datasets have been fitted with gaussian and/or lorentizan functions, as described in the published text.</p> <p>Any question can be forwarded to the corresponding authors of the published text.</p> <p> </p>
Data for: On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy
<p>Data for publication: T. Begusic, J. Vanicek, On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy, <em>J. Chem. Phys.,</em> <strong>153</strong>, 184110 (2020).</p> <p>Contains simulated linear and two-dimensional spectra of the S<sub>1</sub> - S<sub>0</sub> electronic transition of phenol, excited-state and ground-state ab initio trajectories at the PBE0/6-311G(d,p) level of theory, and other supporting data related to the abovementioned publication.</p>
Excitation energy transfer and vibronic coherence in intact phycobilisomes — multidimensional electronic spectroscopy data set and MATLAB and Julia analysis code
<p>Data sets used in the article "Excitation energy transfer and vibronic coherence in intact phycobilisomes" by Sil et al. The phycobilisomes were isolated from the short-filament mutant (SF33) of <em>Fremyella diplosiphon</em> UTEX 481 (also known as <em>Tolypothrix</em> sp. PCC 7601). Multidimensional electronic spectroscopy was performed with 6.7 fs mid-visible pulses (520–700 nm) using a pump–probe optical configuration using adaptive pulse shaping techniques. In addition to the full set of two-dimensional spectra and analysis files generated using global and target modeling and analysis of coherences (3DES oscillation maps), we provide here a linear absorption spectrum with phycobiliprotein component analysis as well as a set of 2D excitation–emission fluorescence spectra of intact and broken phycobilisome preparations. </p> <p>Sil, S.; Tilluck, R. W.; Mohan TM, N.; Leslie, C. H.; Rose, J. B.; Domínguez-Martín, M. A.; Lou, W.; Kerfeld, C. A.; Beck, W. F. Excitation energy transfer and vibronic coherence in intact phycobilisomes. Nat. Chem. (2022), DOI: 10.1038/s41557-022-01026-8.</p> <p><a href="https://urldefense.com/v3/__https://www.nature.com/articles/s41557-022-01026-8__;!!HXCxUKc!yaVwTZFk8T-j3ROhygpOGW5Xy_E2wQvf-QgNGr9FZZbp4oNpfp_ZmhkdWYLdg2mKSDP8yYrNAZs$">https://www.nature.com/articles/s41557-022-01026-8</a></p> <p> </p> <p> </p>
Vibrational coherences in half-broadband 2D electronic spectroscopy: spectral filtering to identify excited state displacements
<p>All data presented in the figures of "Vibrational coherences in half-broadband 2D electronic spectroscopy: spectral filtering to identify excited state displacements".</p>
Insights from Transient Absorption Spectroscopy into Electron Dynamics Along the Ga-Gradient in Cu(In,Ga)Se2 Solar Cells: Data
<p>Excel file with data to all figures published in our article found at https://doi.org/10.1002/aenm.202003446 (Advanced Energy Materials), Synopsis user manual, Matlab code to analyse and fit data</p> <p> </p>
Modeling Protein Conformations by Guiding AlphaFold2 with Distance Distributions. Application to Double Electron Electron Resonance (DEER) Spectroscopy.
<p>We describe a modified version of AlphaFold2 that incorporates experiential distance distributions into the network architecture for protein structure prediction. Harnessing the OpenFold platform, we fine-tuned AlphaFold2 on a small number of structurally dissimilar proteins to explicitly model distance distributions between spin labels determined from Double Electron-Electron Resonance (DEER) spectroscopy. We demonstrate the performance of the modified AlphaFold2, referred to as DEERFold, in switching the predicted conformations guided by experimental or simulated distance distributions. Remarkably, the intrinsic performance of AlphaFold2 substantially reduces the number and the accuracy of the widths of the distributions needed to drive conformational selection thereby increasing the experimental throughput. The blueprint of DEERFold can be generalized to other experimental methods where distance constraints can be represented by distributions. </p>
Correlative Raman Imaging and Scanning Electron Microscopy: The Role of Single Ga Islands in Surface-Enhanced Raman Spectroscopy of Graphene_experimental dataset
<p>This dataset contains the raw unprocessed data for Piastek et al., Correlative Raman Imaging and Scanning Electron Microscopy: The Role of Single Ga Islands in Surface-Enhanced Raman Spectroscopy of Graphene, <em>J. Phys. Chem. C</em> 2022, 126, 9, 4508–4514. </p>
Ion-Pair Dynamics upon Photoinduced Electron Transfer Monitored by Pump-Pump-Probe Spectroscopy
<p>The files contain all the data that are shown in the figures of the main text and of the supporting information of the article:</p> <p>Beckwith, J.; Lang, B.; Grilj, J.; Vauthey, E. Ion-Pair Dynamics upon Photoinduced Electron Transfer Monitored by Pump-Pump-Probe Spectroscopy. J. Phys. Chem. Lett. 10 (2019), 10.1021/acs.jpclett.9b01431</p>
Data for Simulating strong-field electron-hole dynamics in solids probed by attosecond transient absorption spectroscopy
<p>These are the source data for <em>Simulating strong-field electron-hole dynamics in solids probed by </em><em>attosecond transient absorption spectroscopy</em>. A preprint is available at: https://arxiv.org/abs/2409.01033. A readme.txt file is included with the data.</p>
Raw data for 'The effect of the zero-field splitting in light-induced pulsed dipolar electron paramagnetic resonance (EPR) spectroscopy'
<p>This repository contains the raw data for the manuscript 'The effect of the zero-field splitting interaction in light-induced pulsed dipolar electron paramagnetic resonance (EPR) spectroscopy' submitted for pubilcation at Magnetic Resonance.</p>
Electron energy loss spectroscopy (EELS) and energy dispersive spectroscopy (EDS) data from two pyroxene grains from Apollo 17 soil 71501
<p>This dataset contains hyperspectral EELS and EDS data for two pyroxene grains from Apollo 17 soil 71501 as well as iron oxidation state standards used in the original article "Detection of ferric iron in an exsolved lunar pyroxene using electron energy loss spectroscopy (EELS): Implications for space weathering and redox conditions on the Moon" by Brittany Cymes, Katherine Burgess, and Rhonda Stroud. (doi: 10.1111/maps.13941). The purpose of this dataset is to document chemical characteristics of lunar pyroxenes that can be used to interpret conditions of formation and evaluate chemical changes resultant from the process of space weathering.</p>
Investigation via Electron Microscopy and Electrochemical Impedance Spectroscopy of the Effect of Aqueous Zinc Ions on Passivity and the Surface Films of Alloy 600 in PWR PW at 320 C
<p>This upload includes the raw EDS data in Bruker Esprit format and the raw EIS data in excel dat format that is presented in the manuscript published in Corrosion and Materials Degradation entitled <em>Investigation via Electron Microscopy and Electrochemical Impedance Spectroscopy of the Effect of Aqueous Zinc Ions on Passivity and the Surface Films of Alloy 600 in PWR PW at 320 C.</em></p>
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.
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.