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185 results for “perovskites”
Light-Induced Metallic and Paramagnetic Defects in Halide Perovskites from Magnetic Resonance
<p>EPR and NMR data for the research article titled "Light-Induced Metallic and Paramagnetic Defects in Halide Perovskites from Magnetic Resonance". For further details see the readme.txt file. DOI: https://doi.org/10.1021/acsenergylett.4c02557</p>
Dataset of "Advancing Logic Circuits with Halide Perovskite Memristors for Next-Generation Digital Systems"
<p><span>This dataset supports the article "Advancing Logic Circuits with Halide Perovskite Memristors for Next-Generation Digital Systems" </span></p> <p> </p> <p><span>Raw data for the article "<span>Advancing Logic Circuits with Halide Perovskite Memristors for Next-Generation Digital Systems</span>". For further details see the readme.txt file.</span></p>
The Role of Alkyl Chain Length and Halide Counter Ion in Layered Dion-Jacobson Perovskites with Aromatic Spacers
<p>Structural, optoelectronic and supplementary characterization data for “The Role of Alkyl Chain Length and Halide Counter Ion in Layered Dion-Jacobson Perovskites with Aromatic Spacers”, doi.org/10.1021/acs.jpclett.1c02937.</p> <ul> <li>Figure 2.zip: <ul> <li>2a and 2b (XRD patterns) in *.csv files.</li> <li>2c and 2d raw and processed solid state NMR spectra of (PDEA)PbI4 and (PDEA)I2, comprising 207Pb, 207Pb->1H HETCOR. NMR data is given in the JCAMP-DX 6.0 format including acquisition and processing parameters. The TopSpin software is recommended as this was used to record the NMR data.</li> <li>2e-h GIWAXS images in *.tiff format</li> </ul> </li> <li>Figure 3.zip: <ul> <li>3a and 3c (UV-Vis absorption spectra) in *.csv format</li> <li>3b and 3d (PL emission) in *.xlsx data</li> </ul> </li> <li>Figure 4.zip: <ul> <li>Transient absorption spectroscopy data in *.xlsx format</li> </ul> </li> <li>Figure 5.zip: <ul> <li>5a-f (XRD patterns) in *.csv data</li> </ul> </li> </ul> <ul> <li>Figure S2.zip: <ul> <li>S2a-b (UV-Vis spectra) in *.csv data</li> <li>S2c-d (XRD patterns) in *.csv data</li> </ul> </li> <li>Figure S3.zip: <ul> <li>GIWAXS images in *.tiff format</li> </ul> </li> <li>Figure S4.zip: <ul> <li>S4 Raw and processed solid state NMR spectra of 1H->13C cross polarisation spectra. NMR data is given in the JCAMP-DX 6.0 format including acquisition and processing parameters. The TopSpin software is recommended as this was used to record the NMR data.</li> </ul> </li> <li>Figure S5-S6.zip: <ul> <li>Raw and processed solution NMR spectra of (PDEA)I2 and (PDEA)Br2 in deuterated DMSO, comprising 1H and 13C 1D and 2D HSQC/HMBC spectra. NMR data is given in the JCAMP-DX 6.0 format including acquisition and processing parameters. The TopSpin software is recommended as this was used to record the NMR data.</li> </ul> </li> <li>Figure S7.zip: <ul> <li>PL emission data in *.xlsx format</li> </ul> </li> <li>Figure S8.zip: <ul> <li>Transient absorption spectroscopy data in *.xlsx format</li> </ul> </li> <li>Figure S9.zip: <ul> <li>S9a-f optical absorption data in *.csv format</li> </ul> </li> <li>Figure S10.zip: <ul> <li>PL emission data in *.xlsx format</li> </ul> </li> <li>Figure S11.zip: <ul> <li>*.png image of contact angle measurements</li> </ul> </li> </ul>
In Situ Photoluminescence Imaging Dataset of Blade-Coated Perovskite Photovoltaics
<p><strong>Content:</strong></p> <p>The dataset contains time-resolved in situ images acquired during the formation of the perovskite layer which is then built into a perovskite solar cell. The image time series in the dataset encompass the drying and crystallization of the blade-coated perovskite thin-films. An initial exploration of the data presented in the dataset is conducted in the paper <strong><a href="https://doi.org/10.1002/solr.202201114">Process Insights into Perovskite Thin-Film Photovoltaics from Machine Learning with In Situ Luminescence Data</a>.</strong></p> <p>A total of 1,129 solar cells were fabricated using the blade coating deposition method. To monitor the vacuum quenching process of the perovskite layer, a photoluminescence (PL) imaging setup was used to capture four channels of image data. These channels included time series images (2D+t) captured through various spectral filters, with one channel showing reflectance and the other three showing different parts of the PL spectrum. The three PL channels with different spectral transmissions were also used to compute a image time series of spatially resolved PL peak wavelengths. All images were cropped into smaller patches of 65x56 pixels each, which only included the active area of a single solar cell.</p> <p>Different metrics are available as target variables. For each solar cell in the dataset, the photovoltaic performance parameters, namely (1) power conversion efficiency (PCE), (2) open-circuit voltage (<em>V<sub>OC</sub></em>), (3) short-circuit current density (<em>J<sub>SC</sub></em>), and (4) fill factor (FF)), are available (measured backward and forward, as well as the average between forward and backward). Furthermore, information about the perovskite layer thickness of each solar cell’s active area is provided: mean thickness, root-mean-square thickness, and peak-2-valley thickness. Also, additional information like substrate ID and the position of each solar cell within its substrate is provided.</p> <p>All solar cells were fabricated using the same materials, methods, and experimental parameters. As a result, the dataset can be used to apply machine learning techniques to identify variations in the fabrication process between iterations, improve understanding of the process, and predict performance in-line before completing the half-stack into a functional solar cell.</p> <p>Further information on the experimental acquisition procedure can be found in the paper <a href="https://doi.org/10.1002/solr.202201114"><strong>Process Insights into Perovskite Thin-Film Photovoltaics from Machine Learning with In Situ Luminescence Data</strong>.</a></p> <p> </p> <p><strong>Usage:</strong></p> <p>The dataset is made available as a single hdf5-file. The npy-data can be extracted using the notebook “00_extract_data_from_hdf5_file.ipynb” which is provided in the GitHub repository <a href="https://github.com/AI-InSu-Pero/ML-PerovskitePV-InSituLuminescene">https://github.com/AI-InSu-Pero/ML-PerovskitePV-InSituLuminescene</a> </p> <p>The structure of the dataset after extraction from the hdf5-file is depicted below. The dataset (1,129 solar cells) is split into two subfolders, containing train (780 solar cells) and test data (349 solar cell), respectively. For training and test data, the corresponding labels are listed in csv files. In the train and test folders, there are subfolders for each of the substrate assigned to either of the two sets. In the substrate folders, the data for all the patches of a substrate is saved in npy-format with the shape (719, 5, 65, 56), representing (time step, channel, image height, image width). It can be loaded using numpy.load(path_to_file). The order of the five channels is as follows: (0) reflectance, (1) entire PL spectrum, (2) filtered PL spectrum – longer wavelengths remaining, (3) filtered PL spectrum – shorter wavelengths remaining, (4) computed peak wavelength of PL spectrum.</p> <p>In the train folder, an additional folder “cv_splits_5fold” gives the train and validation splits for the 5-fold cross-validation used in the dataset exploration paper. For each fold, the labels are given as csv-files for train and validation split.</p> <p> </p> <pre><code>dataset ├── train │ ├── ACA │ │ ├── 11.npy │ │ ├── 12.npy │ │ ├── 13.npy │ │ ├── 14.npy │ │ ├── 21.npy │ │ └── ... (all other patches of this substrate) │ ├── ACA │ │ ├── 11.npy │ │ ├── 12.npy │ │ ├── 13.npy │ │ ├── 14.npy │ │ ├── 21.npy │ │ └── ... (all other patches of this substrate) │ ├── ... (all other train substrates) │ ├── cv_splits_5fold │ │ ├── fold0 │ │ │ ├── train.csv │ │ │ └── val.csv │ │ └── ... (all other folds) │ └─── labels.csv └── test ├── ACE │ ├── 11.npy │ ├── 12.npy │ ├── 13.npy │ ├── 14.npy │ ├── 21.npy │ └── ... (all other patches of this substrate) ├── ... (all other test substrates) └── labels.csv </code></pre> <p> </p>
Nonlinear THz Control of the Lead Halide Perovskite Lattice - Experimental data
<p>Experimental data for the paper "<strong>Nonlinear THz Control of the Lead Halide Perovskite Lattice</strong>", published with open-access in <em>Science Advances</em> under <a href="https://doi.org/10.1126/sciadv.adg3856">https://doi.org/10.1126/sciadv.adg3856</a></p> <p>The data was measured at the Department of Physical Chemistry, Fritz Haber Institute of the Max Planck Society in Berlin.</p> <p>Contents:</p> <ul> <li>THz E-field data from Fig. 1</li> <li>THz-induced Kerr effect time domain data, fluence dependence, azimuthal angle dependence, and corresponding THz fields for MAPbBr3 and CsPbBr3 at room temperature from Fig. 2.</li> <li>THz-induced Kerr effect time domain data for MAPbBr3 single crystals and thin films for room temperature, 180K and 80K from Fig. 3.</li> <li>THz-induced Kerr effect experimental data and simulated Kerr signals from Fig. 4.</li> <li>THz-induced Kerr effect time domain data for MAPbBr3 single crystal at different THz fluences from Fig. 5a.</li> </ul> <p>Raw data and data of the Supplementary Materials (SM) will be provided upon request. Please contact Maximilian Frenzel (frenzel@fhi-berlin.mpg.de) and Sebastian F. Maehrlein (maehrlein@fhi-berlin.mpg.de) for such a request or for general questions.</p>
Dataset of "The Impact of Spacer Size on Charge Transfer Excitons in Dion-Jacobson and Ruddlesden-Popper Layered Hybrid Perovskites"
<p>This dataset underpins the following article published in the Journal of Physical Chemistry Letters:</p> <p>"The Impact of Spacer Size on Charge Transfer Excitons in Dion-Jacobson and Ruddlesden-Popper Layered Hybrid Perovskites"</p> <p>DOI: 10.1021/acs.jpclett.3c01125</p> <p> </p> <p>The dataset contains steady state absorption (UV/Vis), transient absorption (TA) and electroabsorption (EA) data acquired from experiments on 2D perovskites incorporating different organic spacers. The dataset also includes data acquired from temperature dependent measurements.</p> <p>The transient absorption data has been treated using a home-written matlab script in order to correct for the chirp.</p> <p> </p>
Dynamic Nuclear Polarization of Inorganic Halide Perovskites
<p>NMR, EPR, XRD datasets and SEM image for the research article titled "Dynamic Nuclear Polarization of Inorganic Halide Perovskites". For further details see the readme.txt file.</p>
Data and code for "Phase transitions in inorganic halide perovskites from machine learning potentials: The impact of size, rate, and the underlying exchange-correlation functional"
<p>This record contains databases with data from density functional theory calculations used for training a series of neuroevolution potentials (NEPs), which are also included here. Information is also included for how to access the databases and run the NEP models.</p> <p><strong>Databases</strong><br> The <code>*.db</code> files are databases with the results from density functional theory (DFT) calculations. These are sqlite databases in ase format, see <a href="https://wiki.fysik.dtu.dk/ase/tutorials/tut06_database/database.html">here</a> for more information. The <code>demo-database-access.py</code> script illustrates the most basic access.</p> <p><strong>Models</strong><br> The neuroevolution potential (NEP) models described in the publication can be found in the <code>nep-*.txt</code> files. They can be used in conjunction with the <a href="https://gpumd.org">GPUMD package</a>. The <a href="https://calorine.materialsmodeling.org">calorine package</a> provides a Python interface to GPUMD.</p> <p><strong>Primitive structures</strong><br> Several primitive structures in extended xyz format can be found in the <code>*.xyz</code> files. These structures have been relaxed using the NEP models included here. The <code>demo-for-using-structures-and-models.py</code> script illustrates how to access the structures and models.</p>
Broad luminescence generated by IR laser excitation from CsPbBr3:Yb3+ perovskite ceramics
<p><strong>Abstract</strong></p> <p>This paper demonstrates the generation of broadband emission in the visible and infrared ranges induced by a concentrated beam of infrared radiation from CsPbBr3 ceramics doped with Yb3+ ions. The sample was obtained by the conventional solid-state reaction method, and XRD measurements confirmed the phase purity of the material crystallizing in the orthorhombic system. Spectroscopic measurements required further sample preparation in the form of ceramics using a high-pressure press. The research showed that as the excitation power increases, the emission intensity does not increase linearly from the beginning of the experiment. Irradiation of the material results in the accumulation of the delivered energy. Absorption of a sufficient number of photons triggers avalanche emission. It was found that the most intense luminescence is produced in a vacuum. Changes in conductivity were also observed, where the excitation was able to lower the resistivity of the material and it was highly dependent on the excitation power. The mechanism responsible for the generation of the observed phenomenon involving intervalence charge transfer (IVCT) transitions has been postulated.</p>
Reevaluated P-V-T Dataset for (Mg,Fe)SiO3 post-Perovskite
<p>This is a collection of pressure, volume, and temperature data for (Mg,Fe)SiO<sub>3</sub> post-perovskite collected in laser-heated diamond anvil cells. The volumes and temperatures are collected from previous studies, and the pressures are reevaluated according to the internally consistent pressure scale of Dorogokupets and Dewaele (2007). A Monte Carlo sampling routine was used to propagate uncertainty from the measured volumes and temperatures, as well as uncertainties in the pressure scale parameters, to the final pressure uncertainties.</p>
Buried Interface Engineering Enables Efficient and 1,960-hour Isos-L-2i Stable Inverted Perovskite Solar Cells
<p>High-performance perovskite solar cells (PSCs) typically require interfacial passivation, yet this is challenging for the buried interface, owing to the dissolution of passivation agents during the deposition of perovskites. Here, we overcome this limitation with in-situ buried interface passivation – achieved via directly adding a cyanoacrylic acid-based molecular additive, namely BT-T, into the perovskite precursor solution. Classical and ab-initio molecular dynamics simulations reveal that BT-T spontaneously may self-assemble at the buried interface during the formation of the perovskite layer on a nickel oxide hole transporting layer. The preferential buried interface passivation results in facilitated hole transfer and suppressed charge recombination. In addition, residual BT-T molecules in the perovskite layer enhance its stability and homogeneity. We report a power-conversion efficiency (PCE) of 23.48% for 1.0 cm2 inverted-structure PSCs. The encapsulated PSC retains 95.4% of its initial PCE following 1,960-hour maximum power point tracking under continuous light illumination at 65°C (i.e., ISOS-L-2I protocol). Our demonstration of operating-stable PSCs under accelerated ageing conditions represents a step closer to the commercialization of this emerging technology.</p>
Supplementary files for "Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI=Na, K and MIII=Cr, Al) Heterometallic Perovskites"
<p>DFT optimised structures and phonon data of [C<sub>2</sub>H<sub>5</sub>NH<sub>3</sub>] (ethylamonium, EtA) based formate perovskites EtANaCr, EtANaAl and EtAKCr. The zip-files Phonons-XXX contain the calculated force constants, the frequencies at the gamma point, the calculated density of states and the thermal properties.</p>
Strain effects on oxygen migration in perovskites
<p>This data is cross-posted here:</p> <p>https://materialsdata.nist.gov/dspace/xmlui/handle/11256/701</p> <p>Please download from the link above instead.</p> <p> </p> <p>Fast oxygen transport materials are necessary for a range of technologies, including efficient and cost-effective solid oxide fuel cells, gas separation membranes, oxygen sensors, chemical looping devices, and memristors. Strain is often proposed as a method to enhance the performance of oxygen transport materials, but the magnitude of its effect and its underlying mechanisms are not well-understood, particularly in the widely-used perovskite-structured oxygen conductors. This work reports on an ab initio prediction of strain effects on migration energetics for nine perovskite systems of the form LaBO3, where B = [Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga]. Biaxial strain, as might be easily produced in epitaxial systems, is predicted to lead to approximately linear changes in migration energy. We find that tensile biaxial strain reduces the oxygen vacancy migration barrier across the systems studied by an average of 66 meV per percent strain for a single selected hop, with a low of 36 and a high of 89 meV decrease in migration barrier per percent strain across all systems. The estimated range for the change in migration barrier within each system is +/- 25 meV per percent strain when considering all hops. These results suggest that strain can significantly impact transport in these materials, e. g., a 2% tensile strain can increase the diffusion coefficient by about three orders of magnitude at 300 K (one order of magnitude at 500 degrees C or 773 K) for one of the most strain-responsive materials calculated here (LaCrO3). We show that a simple elasticity model, which assumes only dilative or compressive strain in a cubic environment and a fixed migration volume, can qualitatively but not quantitatively model the strain dependence of the migration energy, suggesting that factors not captured by continuum elasticity play a significant role in the strain response.</p>
Transient Optoelectronic Analysis of the Impact of Material Energetics and Recombination Kinetics on the Open-Circuit Voltage of Hybrid Perovskite Solar Cells
<p>This is the data presented in the article 'Transient Optoelectronic Analysis of the Impact of Material Energetics and Recombination Kinetics on the Open-Circuit Voltage of Hybrid Perovskite Solar Cells' published in The Journal of Physical Chemistry C, DOI: 10.1021/acs.jpcc.7b02411.</p>
2D Halide Perovskite (PEA2PbBr4, PEA2PbI4) CL and EDX dataset
<p>1) Dataset of hyperspectral cathodoluminescence (CL) maps for three samples: PEA2PbBr4, PEA2PbI4 and lateral heterostructures PEA2PbBr4-I4.</p><p>Hyperspectral data is stored in the <a href="http://hyperspy.org/hyperspy-doc/current/user_guide/io.html#hspy-format">"hspy"</a> HyperSpy HDF5 specification, and can be loaded and analysed using Python (see <a href="http://hyperspy.org/hyperspy-doc/current/index.html">HyperSpy documentation</a>). Each hspy file contains comprehensive measurement metadata accessible in the "original_metadata" attribute in Python.</p><p>2) Dataset of hyperspectral energy-dispersive X-ray (EDX) spectroscopy for PEA2PbBr4-I4. Also in "hspy" format.</p><p> </p>
Host-guest complexation in wide bandgap perovskite solar cells
<p>Wide bandgap hybrid halide perovskites are increasingly relevant in the fabrication of tandem solar cells. However, their efficiency and stability during operation are still limited by several factors, among which ion migration at the interface with charge-selective extraction layers is one of the most detrimental ones. Herein, we employ a host-guest complexation strategy to control interfacial ion migration by using dibenzo-21-crown-7 in wide bandgap hybrid halide perovskites based on methylammonium (MA) lead bromide. We demonstrate the capacity of the crown ether to affect the performances and stabilities of MAPbBr3 solar cells. As a result, we achieve power conversion efficiencies up to 5.9% with an open circuit voltage as high as 1.5 V, which is accompanied by stability over 300 h at 85 °C under nitrogen atmosphere, as well as more than 300 h at ambient temperature, maintaining ∼80% of initial performance. This represents a versatile strategy for wide bandgap photovoltaic devices.</p>
Dataset of "Hysteresis, impedance and transients effects in halide perovskite solar cells and memory devices analysis by neuron-style models"
<p>This dataset supports the article published<em> </em>in the Advanced Energy Materials:</p> <p>"Hysteresis, impedance and transients effects in halide perovskite solar cells and memory devices analysis by neuron-style models"</p> <p> </p> <p>Raw data for the article "Hysteresis, impedance and transients effects in halide perovskite solar cells and memory devices analysis by neuron-style models". For further details see the readme.txt file.</p>
Dataset for Main Text and SI - Squeezing the threshold of metal-halide perovskite micro-crystal lasers grown by solution epitaxy by Shuyu Zhou et al.
<p>All data published in </p> <p><strong><span>Squeezing the threshold of metal-halide perovskite micro-crystal lasers grown by solution epitaxy</span></strong></p> <p><strong><span> by </span></strong><em><span>Shuyu Zhou, Viktor Rehm, Hany A. Afify, Yufei Han, Jędrzej Korczak, Andrzej Szczerbakow, Tomasz Story, Zijian Peng, Albert These, Anastasia Barabash, Andres Osvet, Christoph J. Brabec, Klaus Götz, Tobias Unruh, Felix Hilpert, Olaf Brummel, Jörg Libuda, Wolfgang Heiss</span></em></p> <p><em><span>are summarized in this rar file. </span></em></p>
Data for "Octahedral tilt-driven phase transitions in BaZrS3 chalcogenide perovskite"
<p>This record contains:<br>1. database with data from density functional theory calculations used for training a neuroevolution potential (NEP) for the BaZrS3 chalcogenide perovskite<br>2. the NEP machine learning interatomic potential<br>3. test and training set used to construct the potential</p>
Synthesis and characterization of CsPbCl3 perovskite doped with Nd3+: structural, optical, and energy transfer properties
<div> <p>The purpose of this paper is to synthesize micrometric inorganic perovskite CsPbCl3:Nd3+ and investigate the impact of doping with rare earth ions on structural and optical properties, as well as energy transfer pathways between the host and dopant. Herein, we report the solid-state reaction synthesis of a concentration series of CsPbCl3:x%Nd3+ annealed in a nitrogen atmosphere. Additional doping of a material that already exhibits luminescence with an optically active ion increases its application potential. Structural features were determined using X-ray powder diffraction and Raman spectroscopy. Morphology studies performed with scanning electron microscopy images revealed micrometric, well-separated cubic-like crystallites with a good distribution of individual elements. Surprisingly, a photoluminescence (PL) study showed that only the blue emission appears when the material is excited with a diode operating in the UV range. Apparently, the emission of Nd3+ ions can only be obtained with direct excitation of the lanthanide. The photoluminescence excitation (PLE) spectrum monitored for Nd3+ emission confirmed the lack of energy transfer between the host and dopant. Possible explanations for this behavior have been put forth and substantiated by the first-principles electronic structure calculations in the framework of hybrid density functional theory.</p> </div>
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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.
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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.
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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.