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Dataset of "Thermal Stability of Valuable Metals in Lithium-Ion Battery Cathode Materials: Temperature Range 100-400 °C"
<p>Lithium is crucial in lithium-ion batteries (LIBs), serving as a main component of the electrolyte and cathode. Elements such as cobalt, nickel, and manganese are also vital for high performance, energy density, and stability. This study aimed to examine the behaviour of end- of-life cathode material (LiNi0.6Mn0.2Co0.2O2) and its valuable metals after exposure to temperatures between 100 and 400 °C, comparing it with untreated material. The lithium content cannot be reliably determined by conventional analytical methods, so inductively coupled plasma optical emission spectroscopy (ICP-OES) was chosen for this purpose. For ICP-OES measurements, samples were dissolved in different solvents for a specified time, and the concentrations of lithium, nickel, manganese, and cobalt were measured. From the measured values, their theoretical yields were calculated. Due to the annealing at given temperatures and subsequent dissolution, this step can be considered as the first stage of the pyrometallurgical- hydrometallurgical process used in battery recycling. The study was complemented by further analyses to monitor the effect of annealing temperatures on the properties of the material. Based on the results, it was found that the highest theoretical yield in this temperature range was for material annealed at 400 °C and dissolved in 20% nitric acid for 4 hours.</p>
Little Rock Lake Experiment at North Temperate Lakes LTER: Major Ions 1996 - 2000
The Little Rock Acidification Experiment was a joint project involving the USEPA (Duluth Lab), University of Minnesota-Twin Cities, University of Wisconsin-Superior, University of Wisconsin-Madison, and the Wisconsin Department of Natural Resources. Little Rock Lake is a bi-lobed lake in Vilas County, Wisconsin, USA. In 1983 the lake was divided in half by an impermeable curtain and from 1984-1989 the northern basin of the lake was acidified with sulfuric acid in three two-year stages. The target pHs for 1984-5, 1986-7, and 1988-9 were 5.7, 5.2, and 4.7, respectively. Starting in 1990 the lake was allowed to recover naturally with the curtain still in place. Data were collected through 2000. The main objective was to understand the population, community, and ecosystem responses to whole-lake acidification. Funding for this project was provided by the USEPA and NSF. Parameters characterizing the major ions of the treatment and reference basins of Little Rock Lake are measured at one station in the deepest part of each basin at the top and bottom of the epilimnion, mid-thermocline, and top, middle, and bottom of the hypolimnion. These parameters include chloride, sulfate, calcium, magnesium, sodium, potassium, iron, and manganese Sampling Frequency: varies - Number of sites: 2
Molecular composition of dissolved organic matter in NTL-LTER lakes detected by Fourier-transform ion cyclotron resonance mass spectrometry
The composition of dissolved organic matter (DOM) varies widely in the environment due to distinct sources of the material and subsequent processing. DOM composition drives its reactivity in terms of many processes including photochemical reactions, microbial metabolism, and carbon cycling within water bodies. This study uses ultra-high resolution mass spectrometry via a Fourier-transform ion cyclotron resonance mass spectrometer (FT-ICR MS) to evaluate DOM composition at the molecular level to determine differences in DOM composition among the NTL-LTER lakes. Whole water samples were collected from the surface of each lake near the shore on August 18th and 19th in 2016 in. Ultraviolet-visible spectra were recorded as light absorbance can also give information about DOM composition. Additionally, concentrations of anions, cations, and pH were measured waters because these can all alter DOM reactivity in the environment. Both water chemistry and DOM composition vary widely among the lakes with the bogs displaying the most terrestrial-like signature in DOM and the oligotrophic lakes show more microbial-like or environmentally processed DOM.
Molecular composition of dissolved organic matter from Lake Mendota from June – November 2017, analyzed by Fourier-transform ion cyclotron resonance mass spectrometry
Dissolved organic matter (DOM) is a complex mixture of organic compounds found in all natural waters. Its composition affects its reactivity towards numerous processes. Its composition is a function of both its source (e.g., allochthonous or autochthonous) as well as the extent of environmental processing it has undergone (e.g., chemical or biological degradation). Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) allows for the characterization of dissolved organic matter at the molecular level. The water sample was collected near the NTL-LTER research buoy on Lake Mendota. Formula assignments were made to raw mass to charge ratios detected in the mass spectrum using a custom processing script and resulting in a list of chemical formulas making up the DOM sample.
Van Allen Probes Occurrence Rates of Electromagnetic Ion Cyclotron (EMIC) Waves with Rising Tones
<p>CSV files with the values for the occurrence rates of electromagnetic ion cyclotron (EMIC) waves with rising tones observed by the Van Allen Probes from 2012-09-07 to 2016-07-01 from the paper</p><p>Sigsbee, K., Kletzing, C. A., Faden, J., & Smith, C. W. (2023). Occurrence rates of electromagnetic ion cyclotron (EMIC) waves with rising tones in the Van Allen Probes data set. Journal of Geophysical Research: Space Physics, 128, e2022JA030548. https://doi.org/10.1029/2022JA030548 </p><p>The below files contain the values from Figures 5 and 6. The first row of each file gives the lower value of each L shell bin (0.0, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0, 4.5, 5.5, 6.0, 7.0, 7.5). The first column of each file gives the magnetic local time (MLT) values (0-23) for each bin. </p><p>rbspab_lshellmlt_minutes_20120907_to_20160701.csv gives the number of minutes spent by the Van Allen Probes in each bin of L shell and MLT.</p><p>rbspab_emic_lshellmlt_pcnt_20120907_to_20160701.csv gives the percentage of minutes all EMIC waves were observed in each bin of L shell and MLT.</p><p>rbspab_h_lshellmlt_pcnt_20120907_to_20160701.csv gives the percentage of minutes H+ band EMIC waves were observed in each bin of L shell and MLT.</p><p>rbspab_hr_lshellmlt_pcnt_20120907_to_20160701.csv gives the percentage of minutes H+ band EMIC waves with rising tones were observed in each bin of L shell and MLT.</p><p>rbspab_he_lshellmlt_pcnt_20120907_to_20160701.csv gives the percentage of minutes He+ band EMIC waves were observed in each bin of L shell and MLT.</p><p>rbspab_her_lshellmlt_pcnt_20120907_to_20160701.csv gives the percentage of minutes He+ band EMIC waves with rising tones were observed in each bin of L shell and MLT.</p><p>rbspab_o_lshellmlt_pcnt_20120907_to_20160701.csv gives the percentage of minutes O+ band EMIC waves with rising tones were observed in each bin of L shell and MLT.</p><p>The below files contain the values from Figures 7-13. The first row of each file gives the lower value of each bin of the radial distance RXY in the XY SM plane (0.0, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0, 4.5, 5.5, 6.0, 7.0, 7.5) in Earth radii (RE). The first column of each file gives the lower value of each bin of Z SM in RE (-2.0, -1.75, -1.5, -1.25, -1.0, 0.0, 1.0, 1.25, 1.50, 1.75). Separate files are provided for four MLT sectors: midnight (21 MLT to 3 MLT), dawn (3 MLT to 9 MLT), noon (9 MLT to 15 MLT), and dusk (15 MLT to 21 MLT).</p><p>Number of minutes spent by the Van Allen Probes in bins of RXY and Z SM (Figure 7):</p><p>rbspab_rxyzsm_minutes_midnight_20120907_to_20160701.csv, rbspab_rxyzsm_minutes_dawn_20120907_to_20160701.csv, rbspab_rxyzsm_minutes_noon_20120907_to_20160701.csv, rbspab_rxyzsm_minutes_dusk_20120907_to_20160701.csv </p><p>Percentage of minutes all EMIC waves were observed in bins of RXY and Z SM (Figure 8):</p><p>rbspab_emic_rxyzsm_pcnt_midnight_20120907_to_20160701.csv, rbspab_emic_rxyzsm_pcnt_dawn_20120907_to_20160701.csv, rbspab_emic_rxyzsm_pcnt_noon_20120907_to_20160701.csv, rbspab_emic_rxyzsm_pcnt_dusk_20120907_to_20160701.csv </p><p>Percentage of minutes H+ band EMIC waves were observed in bins of RXY and Z SM (Figure 9):</p><p>rbspab_h_rxyzsm_pcnt_midnight_20120907_to_20160701.csv, rbspab_h_rxyzsm_pcnt_dawn_20120907_to_20160701.csv, rbspab_h_rxyzsm_pcnt_noon_20120907_to_20160701.csv, rbspab_h_rxyzsm_pcnt_dusk_20120907_to_20160701.csv </p><p>Percentage of minutes He+ band EMIC waves were observed in bins of RXY and Z SM (Figure 10):</p><p>rbspab_he_rxyzsm_pcnt_midnight_20120907_to_20160701.csv, rbspab_he_rxyzsm_pcnt_dawn_20120907_to_20160701.csv, rbspab_he_rxyzsm_pcnt_noon_20120907_to_20160701.csv, rbspab_he_rxyzsm_pcnt_dusk_20120907_to_20160701.csv </p><p>Percentage of minutes O+ band EMIC waves were observed in bins of RXY and Z SM (Figure 11):</p><p>rbspab_o_rxyzsm_pcnt_midnight_20120907_to_20160701.csv, rbspab_o_rxyzsm_pcnt_dawn_20120907_to_20160701.csv, rbspab_o_rxyzsm_pcnt_noon_20120907_to_20160701.csv, rbspab_o_rxyzsm_pcnt_dusk_20120907_to_20160701.csv </p><p>Percentage of minutes H+ band EMIC waves with rising tones were observed in bins of RXY and Z SM (Figure 12):</p><p>rbspab_hr_rxyzsm_pcnt_midnight_20120907_to_20160701.csv, rbspab_hr_rxyzsm_pcnt_dawn_20120907_to_20160701.csv, rbspab_hr_rxyzsm_pcnt_noon_20120907_to_20160701.csv, rbspab_hr_rxyzsm_pcnt_dusk_20120907_to_20160701.csv </p><p>Percentage of minutes He+ band EMIC waves with rising tones were observed in bins of RXY and Z SM (Figure 13):</p><p>rbspab_her_rxyzsm_pcnt_midnight_20120907_to_20160701.csv, rbspab_her_rxyzsm_pcnt_dawn_20120907_to_20160701.csv, rbspab_her_rxyzsm_pcnt_noon_20120907_to_20160701.csv, rbspab_her_rxyzsm_pcnt_dusk_20120907_to_20160701.csv </p>
Dataset of "Preparation of novel lithiated high-entropy spinel type oxyhalides and their electrochemical performance in Li-ion batteries "
<p>Electrochemical measurements carried out using the 2032-coin cells with the Li-metal anode have shown voltammetric charge capacities of 450, 694, and 593 mAh g-1 for HEOFe, LiHEOFeCl, and LiHEOFeF, respectively.<br>Galvanostatic chronopotentiometry at 1 C rate confirmed high initial charge capacities for all the samples but galvanostatic curves exhibited a capacity decay over 100 charging/discharging cycles. Raman spectroelectrochemistry measured on the LiHEOFeF sample proved the reversibility of the electrochemical process for initial charging/discharging cycles. Electrochemical impedance spectroscopy revealed the lowest initial charge transfer resistance for LiHEOFeCl and its gradual decrease both for LiHEOFeCl and LiHEOFeF during galvanostatic cycling, whereas the charge transfer resistance of HEOFe slightly increases over 100 galvanostatic cycles due to different mechanism of the electrochemical reduction. </p>
Dataset for Gate-to-Gate Life Cycle Assessment of Lithium-Ion Battery Recycling Pre-Treatment
<p>Recycling spent lithium-ion batteries (LIBs) is crucial for improving environmental sustainability and conserving resources. Due to the diversity of LIB applications and recycling technologies, the environmental and energy impacts are not well understood. Comprehensive assessments must consider the distinct operations, methodologies, technology efficiency, and final treatment of materials. This study provides a partial gate-to-gate life cycle analysis (LCA) of a small-scale recycling plant in the Czech Republic, focusing on pre-treatment of spent LIBs from electric vehicles (EVs) and consumer electronics cells (CECs). The study highlights the benefits of recycling pre-treatment for CECs, significantly reducing environmental impact categories (EICs) such as climate change, eutrophication, and resource use. A high secondary use rate of obtained materials is crucial for environmental benefits, with metal reuse from packaging, connectors, and current collectors being especially important.</p>
Dataset of "Characterization of Silicon-based Fibers Prepared by Electrospinning for Potential Li-ion Battery Anodes"
<p>The rapid growth of electric vehicles (EVs) is driven by advances in lithium-ion batteries (LIBs), particularly in anode materials. Graphite electrodes, widely used for their high porosity, conductivity, low weight, and cost-effectiveness, face competition from monocrystalline silicon. Silicon anodes offer higher capacity and energy density, and they are safer because of their nonflammable nature. However, silicon's tendency to expand and contract during cycling presents challenges. This study explores the use of silicon nano- and microfibers to enhance battery stability, addressing these issues effectively.<br>Monocrystalline silicon particles, obtained through milling and sieving, were used as the active component in the nanofibers. These particles, combined with organic precursors (PVP and TEOS), were processed using electrospinning to form fibers. The fibers were then annealed at 650 °C to remove the polymeric PVP component. <br>The results provide valuable insights into the properties and interactions of the silicon nanofibers, highlighting their potential in advanced energy storage devices. </p>
Dataset for "Study of Rapid Capacity Fade in Prismatic Li-ion Cells with Flexible Packaging"
<p>Prismatic lithium-ion batteries (LIBs) are considered promising electric energy sources in electromobility applications due to their cell to pack density. However, their sensitivity to external and internal influences, and reduced durability lead to inflation risk and potential explosions throughout their lifecycle. These critical processes are strongly influenced by the inner construction of the cell, especially concerning the coating and mechanical fixation. This study subjects a commercially available prismatic LIB cell to comprehensive, correlative analysis employing various imaging techniques. The inner structure of the entire cell is visualized non-destructively by X-ray computed tomography (CT), enabling the identification of critical design flaws prior to electrochemical cycling. Electrochemical cycling simulates the battery lifecycle, and the cell is subsequently disassembled in the fully charged state. The usage of the inert-gas transfer system allowed the preparation of Broad Ion Beam (BIB) electrodes cross-sections in a fully native state and for the first time to observe the tearing of graphite particles due to over-lithiation. Established region labeling system allowed to use CT and scanning electron microscopy (SEM) correlatively to identify critical regions. After 100 cycles, a 40% capacity loss was observed and event diagram describing deagradation mechanisms, related both to the cell design and to the processes occurring at high load, was created.</p>
Dissolved CO2, CH4, and ions in groundwater from five sites in the NEON network (CARI, COMO, KING, MART, WALK), U.S., 2021-2024.
This package contains groundwater chemistry measurements collected from groundwater wells between June 2021 – May 2024 at five sites in the U.S. National Ecological Observatory Network (NEON): CARI- Caribou Creek, AK; COMO- Como Creek, CO; KING- Kings Creek, KS; MART- Martha Creek, WA; and WALK- Walker Branch, TN. The dataset includes concentrations of dissolved gases (CO2 and CH4), ions (F, Cl, NO2, Br, NO3, PO4, SO4, Na, NH4, K, Mg, Ca), silica (Si), and nutrients measured by colorimetric methods (NO3, NH4, PO4). When available, we also report measurements of water temperature, specific conductivity (SpC), pH, dissolved O2, and barometric pressure. Sample collection and analysis was conducted across three labs with additional assistance from the NEON Research Support Services program. Whenever possible, we matched our field sampling methods to NEON’s protocols for groundwater sampling to ensure samples would be comparable to preexisting data from these sites. Any deviations from these protocols are described in the methods.
Historical Birge - Juday Lake Survey - major ions 1900 - 1943
Data collected by Birge, Juday, and collaborators, mostly in north-central Wisconsin, from 1900 through 1943; generally one sampling event per lake during the summer, but on some lakes, especially around Trout Lake Station, several sampling events for several successive years. This data set contains both surface data (depth of zero) and multi-depth data. Note that not all variables were measured on all lakes. Documentation: Johnson, M.D. (1984) Documentation and quality assurance of the computer files of historical water chemistry data from the Wisconsin Northern Highland Lake District (the Birge and Juday data).Wisconsin DNR Technical Report. Note: Values of -99999 in water quality data indicate trace amount of parameter was present. Number of sites: 663 (generally one sampling point per lake; occasionally, several sampling points per lake on multibasin, large lakes). Note: This data set was updated in 2013 to include multi-depth and additional surface data for a large subset of lakes. These additions expanded the number of sites from 605 to 663, and expanded the date range from 1925-1942 to 1900-1943 . Furthermore, 14 lakes in Minnesota were added to the data set contributing additional surface and multi-depth data. Another dataset was added in 2013 collected by Wisconsin limnologists Chauncey Juday and Edward Birge, this data set contains variables that are still commonly used in research. For example, temperature, dissolved carbon dioxide, color, pH, secchi disk, plankton, and silica. However, the data set also includes variables that are not commonly used, for example, crude protein, non-amino nitrogen, ether extract, and total organic and inorganic material. These data are characteristic of water chemistry analysis from the time in which they were compiled (5/31/1915 - 8/29/1938). The data set features data from 586 different lakes, primarily lakes in the Northern Highland Lakes District of Wisconsin. However, there is also data from lakes in southeastern and
North Temperate Lakes LTER: Chemical Limnology of Lake Mendota: Major Ions 1940 - 1995
Chloride, Sodium and Sulfate concentrations in Lake Mendota. 1940 - 1987 data are annual averages collected and processed by Richard Lathrop Lathrop, R. C. (1988). Chloride and sodium trends in the Yahara lakes. Bureau of Research, Wisconsin Department of Natural Resources. 1988 - 1995 data are collected by the Wisconsins DNR and are also available in Storet.
TWINS ENA flux and ion temperature data for interval on August 3, 2016
<p>This is a dataset for TWINS ENA flux and calculated ion temperatures used to prepare Figure 1 for a submission to GRL of a paper by A. M. Keesee, N. Buzulukova, C. Mouikis and E. E. Scime "Mesoscale structures in Earth's magnetotail observed using energetic neutral atom imaging". The dataset has 56 files in .csv format.</p> <p>Files containing the ion temperature (in keV) arrays in the GSM equatorial plane used for Fig. 1a-d have names with format 'temp_YYYYMMDDHHMM.csv'</p> <p>Also included in the dataset are the ENA fluxes projected to the GSM equatorial plane that were used to calculate the ion temperatures. These files have names with formal 'flux[energy]_YYYMMDDHHMM.csv' where [energy] is in keV. The IDL scripts used to create the projections as well as the fitting algorithms used to calculate the ion temperatures are included in Keesee, Amy; Scime, Earl; Zaniewski, Anna; and Katus, Roxanne (2019). 2D Ion Temperature Maps from TWINS ENA data: IDL scripts. UNH Scholars’ Repository <a href="https://dx.doi.org/10.34051/c/2019.1">https://dx.doi.org/10.34051/c/2019.1</a></p>
Dataset of "Advanced machine learning techniques for State-of-Health estimation in lithium-ion batteries: A comparative study"
This research focuses on State-of-Health (SOH) estimation of lithium-ion (Li-ion) batteries to enhance lifespan and reliability. Using Samsung INR18650-35E cells, 600 cycles were analyzed with machine learning (ML) techniques, including Gaussian Process Regression (GPR), Support Vector Regression (SVR), Feed-Forward Neural Network (FFNN) and Adaptive Neuro-Fuzzy Inference System (ANFIS). Input features from charging and discharging cycles were selected with Pearson Correlation Analysis (PCA) and Exhaustive Search (ES) to optimize inputs for each ML method. Models were tested on datasets of varying sizes to evaluate performance and overfitting, including an experiment where SOH estimation of one battery was performed using training data from another. The findings highlight each model's strengths and limitations, guiding their application in battery health prediction.
Dataset of "Mn-doped WSe2 as an efficient electrocatalyst for hydrogen production and as anode material for lithium-ion batteries"
<p>The ongoing energy crisis has made it imperative to develop low-cost, easily fabricated, yet efficient materials. It is highly desirable for these nanomaterials to function effectively in multiple applications. Among transition metal dichalcogenides, tungsten diselenide (WSe2) shows great promise but remains understudied. In this work, we doped WSe2 with Mn using a simple hydrothermal method. The resulting material exhibited excellent electrocatalytic activity for the hydrogen evolution reaction, achieving a low overpotential of –0.28 V vs RHE at -10 mA/cm2, enhanced conductivity, and high stability and durability. Moreover, as an anode material in in lithium-ion batteries, the Mn-doped WSe2 outperformed pristine WSe2, reaching discharge and charge capacities of 1223 and 922 mAh g−1, respectively. Additionally, the Mn-doped material maintained a significantly higher discharge capacity of 201 mAh g−1 compared to intact WSe2, which had 68 mAh g−1 after 150 cycles. This work offers novel insights into designing efficient bifunctional nanomaterials using transition metal dichalcogenides.</p>
Sensitivity enhancement using chemically reactive gas cluster ion beams in secondary ion mass spectrometry (SIMS)
<p>We report for the first time on significant molecular secondary ion yield increases by modifying the chemistry of a water cluster primary ion beam. This was demonstrated using 70 keV ion beams of 0.15 eV/amu. For the neutral drug Bezafibrate, secondary ion yield enhancements ×5-10 were observed when replacing the Ar carrier gas in a water gas cluster ion beam (GCIB) source with a mixture containing 12% CO2 and 2% O2 in Ar. For the cationic drug Ranitidine the ion yield enhancements using the CO2-containing carrier gas were up to ×20-50 in positive mode and ×2-4 in negative mode. The extent of molecular fragmentation was very similar from both cluster beams. We conclude that additional chemically reactive species are present in the impact zone using the (H2O/CO2)n projectile which promote the formation of secondary ions of both polarity through projectile impact-induced chemical reactions. This methodology can be applied to further extend the capabilities of high-resolution 3-dimensional mass spectral imaging using reactive GCIB-SIMS.</p>
Parker Solar Probe Filtered Ion Scale Wave Activity for Encounters 8 to 16
<p>The following datasets are the result of filtering algorithm applied to a wave analysis of Parker Solar Probe data from Encounters 8 to 16. The wave analysis was conducted by Kristoff Paulson using a Short-Time Fourier Transform (STFT) approach based on polarization techniques derived by Means, 1972 (DOI: <a href="http://doi.org/10.1029/JA077i028p05551">10.1029/JA077i028p055511135</a>). Included is a jupyter notebook containing the filtering algorithm, the results of the filtering, and a demonstration of how to best open the files. The dataset for each encounter contains 9 columns that correspond with:</p> <ol> <li>Date in CDF epoch</li> <li>Left-handed (LH) Integrated Wave Power (nT^2) where integration is over frequency space (0-32 Hz) of filtered activity</li> <li>Right-handed (RH) Integrated Wave Power (nT^2)</li> <li>LH median ellipticity where median is over frequency space</li> <li>RH median ellipticity</li> <li>LH median coherency</li> <li>RH median coherency</li> <li>LH median wave normal angle (deg)</li> <li>RH median wave normal angle (deg)</li> </ol> <p>In all cases, ellipticity is measured in the Parker Solar Probe spacecraft frame. Ellipticity measures the ellipticity of the polarization ellipse and takes on values between -1 and 1. Values of 1 correspond with RH circular polarization and -1 with LH circular polarization. Coherency takes on values between 0 and 1. It measures how interrelated fluctuations are where 0 represents noise and 1 represents coherent fluctuations. The wave normal angle is the angle between the wave vector, k, and the local mean magnetic field, B. Since there are inherent ambiguities in the direction of the wave vector for single spacecraft measurements, the wave normal angle is calculated such that it takes on angles from 0 to 90 degrees. The filtering algorithm selects activity in which coherency is above 0.8, absolute value of ellipticity is above 0.5, and wave normal angle is below 45 degrees such that coherent, circularly polarized, near parallel propagating wave activity on ion scales is selected. <strong>If wave power for a given time has value of 0.0, then no fluctuations in the magnetic field data passed the required filters at that time.</strong></p> <p>:</p>
Predictive simulations of ionization energies of solvated halide ions with relativistic embedded Equation of Motion Coupled-Cluster Theory: Figures
<p>This entry contains the sources for the figures included in the body of the paper titled "Predictive simulations of ionization energies of solvated halide ions with relativistic embedded Equation of Motion Coupled-Cluster Theory", by Yassine Bouchafra, Avijit Shee, Florent Réal, Valérie Vallet and André Severo Pereira Gomes, as well as those found in the supplementary information.</p> <p>It accompanies the dataset found at the DOI: 10.5281/zenodo.1477004</p> <p> </p> <p> </p>
Data underlying the paper titled "Positron unveiling high mobility graphene stack interfaces in Li-ion cathodes"
<p>The folder includes data regarding 4 figures shown in this paper. </p> <p>FIG_1: Simulation structure of 6 layers of graphene bulk and slab (6C_Bulk.vasp, 6C_Slab.vasp), LiCoO2(LCO_336.vasp), ABA Graphite coating LiCoO2(G@LCO.vasp). </p> <p>FIG_2: Raw data of band structure of Graphite coating LCO (Band_G@LCO_EIGENVAL), Density of States (DOS_G@LCO_DOSCAR)</p> <p>FIG_3: Calculated plane-averaged charge density difference of SW-G@LCO perpendicular to (001) plane at the equilibrium distance. G@LCO_CHGCAR, LCO_CHGCAR, C_CHGCAR are the CHGCAR for Graphitte coating LCO, LCO, graphite, respectively. </p> <p>d24_diff.vasp is the charge difference</p> <p>d24_PACD.dat is the plane-averaged charge density difference. </p> <p>FIG_4: posden indicates the positron density, while posvtot means positron potential. Data are named by their structure. </p>
Ionic conductivity, viscosity, and self-diffusion coefficients of novel imidazole salts for lithium-ion battery electrolytes
<p>This entry contains the data related to the publication<br><strong>A. Szczęsna-Chrzan <em>et al.</em>, “Ionic conductivity, viscosity, and self-diffusion coefficients of novel imidazole salts for lithium-ion battery electrolytes,”<em> J. Mater. Chem. A</em>, vol. 11, no. 25, pp. 13483–13492, 2023, doi: 10.1039/D3TA01217D.</strong><br><br>It contains experimentally determined conductivity, viscosity and self-diffusion coefficients of anions of the Hückel-type salts lithium 4,5-dicyano-2-(trifluoromethyl)imidazolide (LiTDI), lithium 4,5-dicyano-2-(pentafluoroethyl)imidazolide (LiPDI) and lithium 4,5-dicyano-2-(n‑heptafluoropropyl)imidazolide (LiHDI) for various concentrations of the conducting salts (0 M - 1.5 M) in a solvent mixture containing ethylene carbonate (EC) and ethyl methyl carbonate (EMC) in a ratio of 3:7 by weight.</p> <p>The Python scripts used for the analysis of the NMR data are also included in the dataset.</p>
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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.