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185 results for “perovskites”
DATASET_Effect Of Electronic Doping And Traps On Carrier Dynamics In Tin Halide Perovskites_BOLLA_v1
<p>This document contains the data supporting the peer-reviewed publication : Effect of electronic doping and traps on carrier dynamics in tin halide perovskites by Treglia et al. (<em>Materials Horizons</em>, 2022, <strong>9</strong>, 1763 - 1773) .</p> <p> </p>
Process simulation-based inventory data for the perovskite single-junction, Silicon (PERC) and four-terminal perovskite/silicon tandem solar photovoltaic system life cycles
<p>Process simulation-based inventory data (mass and energy balances) for the perovskite single-junction, silicon (PERC architecture), and four-terminal perovskite/silicon tandem solar photovoltaic system life cycles. The file "0 Overview of simulation flowsheets.xlsx" contains images of the 11 flowsheets that constitute the perovskite/silicon tandem simulation model, which encompasses the perovskite single-junction and silicon (PERC) simulation models. For each unit process shown in each of the flowsheet images, the corresponding Excel file in this repository (with the same name) contains the detailed mass and energy balances, as well as full compositions and thermochemical properties of all streams and the compounds in them. That is, streams are not assumed to consist of pure elements simply moving through the system together, but rather taking into account that streams consist of compounds in solution, which have different thermochemical properties than simple mixtures of the elements involved.</p> <p>Nine additional data files, the names of which start with "Inventory - " contain summarized inventory data for the production of 1000 perovskite single-junction, silicon (PERC), and silicon/perovskite tandem PV modules, each with no Si recycling (i.e. zero circularity), 50% Si recycling, and 100% Si recycling (i.e. full Si circularity).</p>
Data for "Impact of Surface Adsorbates and Dimensionality on Templating of Halide Perovskites"
<p>This record contains databases with data from density functional theory calculations used for training of a neuroevolution potential (NEP) for 2D halide perovskites. </p>
Interfacial host–guest complexation for inverted perovskite solar cells
<p><span>Characterisation dataset for “Interfacial host–guest complexation for inverted perovskite solar cells</span><span>”</span><span>, doi:10.1063/5.0202163, including data for main and supporting figures provided as image (*.png, *.tiff, and *.svg), Origin (*.opju) and *.txt files. </span><span>NMR data is provided by the TopSpin software, which is available from Bruker.<span> </span></span></p>
Avian-eye-inspired perovskite artificial vision system for foveated and multispectral imaging
<p>Avian eyes possess a deep central fovea as a result of extensive evolution. Deep fovea efficiently refracts incident light, creating a magnified image of the target object and making it easier to track its motion. These features are essential for detecting and tracking remote objects in dynamic environments. Furthermore, avian eyes respond to a wide spectrum of light, including visible and ultraviolet light, allowing them to efficiently distinguish the target object from complex backgrounds. Despite notable advances in artificial vision systems that mimic animal vision, the exceptional object detection and targeting capabilities of avian eyes via foveated and multispectral imaging remain underexplored. Here, we present an artificial vision system that capitalizes on these aspects of avian vision. We introduce an artificial fovea and vertically-stacked perovskite photodetector arrays whose designs are optimized by theoretical simulations for the demonstration of foveated and multispectral imaging. The artificial vision system successfully identifies colored and mixed-color objects and detects remote objects through foveated imaging. The potential for use in uncrewed aerial vehicles that need to detect, track, and recognize distant targets in dynamic environments is also discussed. Our avian-eye-inspired perovskite artificial vision system marks a notable advance in bio-inspired artificial visions.</p>
Third FAIRmat users meeting Nov2023 - FAIR Data Principles in Perovskite Solar Cell Research using NOMAD - Daniel Baumann
<p>Daniel Baumann (doctoral research project at KIT in the group of Ulrich Paetzold) highlights how NOMAD Oasis supports experimental materials researchers in the field of perovskite photovoltaics. A live demonstration of experimental planning, documentation, as well as automated data evaluation is presented. Particularly, in conjunction with a highly repeatable robotic spin-coating setup, the realization of this vast potential may be closer than anticipated. </p>
Dataset The effect of the halide anion on the optical properties of lead halide perovskites
<p>File description:</p> <ul> <li>MAX.cif:</li> </ul> <p>Crystal structure data in CIF (<em>Crystallographic Information File</em>) format for the Figure 1 in the article. https://www.iucr.org/resources/cif</p> <p>The way to obtain the files described below is detailed in the methodology section in the article:</p> <ul> <li>SALIDA.TOT.MAPbX (X=Cl,Br,I, and Y=Pb,Cl,Br,I)</li> </ul> <p>Date files corresponding to figure 3 in the article labeled as “alpha_{TOT}”.</p> <p>First|second column: energy (eV)|absorption coefficient (cm<sup>-1</sup>)</p> <ul> <li>SALIDA.Y-X.MAPbX (X=Cl,Br,I, and Y=Pb,Cl,Br,I)</li> </ul> <p>Date files corresponding to figure 3 in the article labeled as “alpha_{YX}”.</p> <p>First|second column: energy (eV)|absorption coefficient (cm<sup>-1</sup>)</p> <ul> <li>SALIDA.s1Y-s2X.MAPbX (X=Cl,Br,I, Y=Pb,Cl,Br,I, and s1,s2 =s,p,d)</li> </ul> <p>Date files corresponding to figure 4 in the article labeled as “alpha_{s1(Y)-s2(X)}”.</p> <p>First|second column: energy (eV)|absorption coefficient (cm<sup>-1</sup>)</p>
Data set Absorption coefficients of Lead Iodine perovskites using 14 different organic cations
<p>Dataset provided as suplementary material of the article published in Solar Energy Material and Solar Cell: https://doi.org/10.1016/j.solmat.2019.110022.</p> <p>File description:The way to obtain the files described below is detailed in the methodology section in the article</p> <p>SALIDA.A-PbI3.Total (A=Ac, Az, Di, Et, Fo, Gu, Hy1, Hy2, Im, Is Me, Pr, Te, Tr)</p> <p>Date files corresponding to the total absorption coefficients for the 14 organic cations labelled as A.</p> <p>First | second column: energy (eV) | 2*absorption coefficient (cm-1)</p>
Reactive Passivation of Wide-Bandgap Organic–Inorganic Perovskites with Benzylamine
<p>NMR data for "Reactive Passivation of Wide-Bandgap Organic–Inorganic Perovskites with Benzylamine"- JACS, 2024, 10.1021/jacs.4c06659</p>
Dataset of "Mapping of Internal Ionic/Electronic Transient Dynamics in Current-Voltage Operation of Perovskite Solar Cells"
<p><span>This dataset supports the article: "Mapping of Internal Ionic/Electronic Transient Dynamics in Current-Voltage Operation of Perovskite Solar Cells" </span></p> <p><span>Raw data for the article "Mapping of Internal Ionic/Electronic Transient Dynamics in Current-Voltage Operation of Perovskite Solar Cells". For further details see the readme.txt file.</span></p>
Increased room temperature ferromagnetism in Co-doped tetrahedral perovskite niobates
<p>Dilute magnetic semiconductors (DMSs), such as (In, Mn)As and (Ga, Mn)As prototypes, are limited to III–V semiconductors with Curie temperatures (<i>T</i><sub>c</sub>) far from room temperature, thereby hindering their wide application. Here, one kind of DMS based on perovskite niobates is reported. BaM<sub>x</sub>Nb<sub>(1-x)</sub>O<sub>3-δ</sub> (M=Fe, Co) powders are prepared by the composite-hydroxide-mediated method. The addition of M elements endows BaM<sub>x</sub>Nb<sub>(1-x)</sub>O<sub>3-δ</sub> with local ferromagnetism. The tetragonal BaCo<sub>x</sub>Nb<sub>(1-x)</sub>O<sub>3-δ</sub> nanocrystals can be obtained by Co doping, which shows strong saturation magnetization(<i>M</i><sub>sat</sub>) of 2.22 emu/g, a remnant magnetization(<i>M</i><sub>r</sub>) of 0.084 emu/g, and a small coercive field(<i>H</i><sub>c</sub>) of 167.02 Oe at room temperature. The ab initio calculations indicate that Co doping could lead to a 64% local spin polarization at the Fermi level(E<sub>F</sub>) with net spin DOS of 0.89 electrons·eV<sup>-1</sup>, this result shows the possibility of maintaining strong ferromagnetism at room temperature. In addition, the trade-off effect between the defect band absorption and ferromagnetic properties of BaM<sub>x</sub>Nb<sub>(1-x)</sub>O<sub>3-δ</sub> is verified experimentally and theoretically.</p>
DATASET_Photoluminescence Intensity Enhancement in Tin Halide Perovskites_BOLLA_v1
<p>This Dataset contains the data that have been collected and added to the publication titled: Photoluminescence Intensity Enhancement in Tin Halide Perovskites by Poli et al., published in Advanced Science (<a href="https://doi.org/10.1002/advs.202202795">https://doi.org/10.1002/advs.202202795</a>)</p> <p>A readme.txt file describes the files contained in each folder of the dataset. Detailed characterization methods can be found directly in the publication (open access). </p>
Understanding surface chemical processes in perovskite oxide electrodes
<p>X-ray photoelectron spectroscopy data and Low Energy ion scattering data for the LSCrF8255 materials published in J. Mater Chem A. DOI10.1039/D3TA00070B</p>
Dataset for magneto-optical spectroscopy of CsPbBr3-based perovskite nanoplatelets
<p>This dataset includes raw photoluminescence and transmission spectra acquired in a pulsed magnetic field. The values of the magnetic field in each acquisition frame of a given pulse are reported in the corresponding *.dat file. In this file, the three columns relate to the value of the field at the beginning of the acquisition, at the end of the acquisition, and to the magnetic field value averaged over the duration of the acquisition frame. For each pulse, identified as sxx, where xx is an integer from, 30 frames are acquired. The PL spectra are identified explicitly by writing PL in the file name. The transmission spectra do not have any explicit mention. The acquisition time of each frame is 2ms. Measurements carried out in the Voigt configuration are performed in the linear polarization basis. 0d indicates that the polarizer is oriented parallel to the magnetic field vector. 90d indicates that the polarizer is oriented perpendicular to the magnetic field vector. The dataset is organized in three main folders, each conteining data for a given thickness of the colloidal nanoplatelets investigated.</p>
Computational workflows for perovskites: Case study for lanthanide manganites
<p>Supplemental material for the above manuscript. Revised version (v2.0).</p> <p>Includes the complete code archive, including all Quantum ESPRESSO calculation input and output files, as well as postprocessing scripts used to generate the figures in this manuscript.</p>
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
<p>Data of a molecular dynamics simulation of the mixed cation and mixed halide perovskite (FAPbI3)0.875(MAPbBr3)0.125 , as well as the end compounds FAPbI3 and MAPbBr3.</p> <p>Related article: </p> <p><em><strong>J. Mater. Chem. A</strong></em>, 2022,<strong>10</strong>, 9592-9603, <a href="https://doi.org/10.1039/D1TA10860C">https://doi.org/10.1039/D1TA10860C</a></p> <p>arXiv:2112.09795 [cond-mat.mtrl-sci] arXiv: 2112.09795 <a href="https://doi.org/10.48550/arXiv.2112.09795">https://doi.org/10.48550/arXiv.2112.09795</a></p>
Discovery of enhanced lattice dynamics in a single-layered hybrid perovskite
<p>This repository presents the raw data for the paper "<strong>Discovery of enhanced lattice dynamics in a single-layered hybrid perovskite</strong>", published as an open-access article in <em>Science Advances</em> at <a href="https://www.science.org/doi/10.1126/sciadv.adg4417">https://www.science.org/doi/10.1126/sciadv.adg4417</a>.</p> <p>Data presented in the Supplementary Materials will be provided upon request. For such requests or general questions regarding the paper, please contact Zhuquan Zhang (<a href="mailto:zhuquan@mit.edu">zhuquan@mit.edu</a>), Keith Nelson (<a href="mailto:kanelson@mit.edu">kanelson@mit.edu</a>), or Edoardo Baldini (<a href="mailto:edoardo.baldini@austin.utexas.edu">edoardo.baldini@austin.utexas.edu</a>).</p>
Contrasting the magnetism in La2−xSrxFeCoO6(x=0,1,2) double perovskites: The role of electronic and cationic disorder
<p>Data sets for original figures in the article 'Contrasting the magnetism in La<sub>2−x</sub>Sr<sub>x</sub>FeCoO<sub>6 </sub>(x=0,1,2) double perovskites: The role of electronic and cationic disorder' published in <a href="https://doi.org/10.1103/PhysRevB.99.184411">Phys. Rev. B <strong>99</strong>, 184411 (2019)</a>. The file name of each xls file corresponds to the figure number in the published article. The files can be opened using the Excel program. If there are sub-figures, or multiple frames in each figure, the data of each sub-figure is stored in separate sheets within one xls file. The files with the file extension 'vesta' can be opened using the freely available program <a href="https://jp-minerals.org/vesta/en/">VESTA</a>.</p>
First-principles insights into the electronic, optical, thermophysical, and mechanical properties of lead-free cubic novel Ba3SbBr3 perovskite
<p>Lead-free halide perovskites have emerged as a significant class of materials with immense<br> potential for solar cell synthesis. Among these materials, Ba3SbBr3, a halide novel perovskite,<br> exhibits remarkable efficiency and holds promise for solar cell applications. There are a lot of<br> physical properties, including its elasticity, electrical composition, bonding, thermophysical,<br> optoelectronic properties, and optical properties, that remain unexplored. In this study, we<br> employ advanced density functional theory-based computations to investigate and unveil the<br> previously unidentified physical properties of novel Ba3SbBr3. Our research encompasses a wide<br> range of analyses, covering mechanical stability, phonon dispersion properties, thermophysical<br> properties, elastic parameters, and bonding nature. By precisely analyzing the phonon dispersion<br> properties and applying the Born-Huang criteria, we demonstrated it as mechanically stable.<br> Moreover, our investigation demonstrates that Ba3SbBr3 exhibits favorable machinability and</p> <p>mechanical isotropy through the analysis of various elastic parameters. ELATE’s three-<br> dimensional visualization and optical properties also show isotropic behavior in all directions.</p> <p>The electron charge density reveals the possession of the ionic bonding. Additionally, Ba3SbBr3<br> possesses a direct bandgap, which is essential for efficient optoelectronic performance. The study<br> also encompasses an exploration of the thermophysical properties including the melting<br> temperature, Debye temperature, Grüneisen parameter, and thermal expansion coefficient. The<br> higher values observed in these properties highlight the material's enhanced mechanical stability,<br> thermal stability, and overall suitability for optoelectronic device applications. A large range of<br> photoconductivity and absorption coefficient indicates the suitability of its application in solar<br> cells. The comprehensive investigation conducted in this study contributes novel insights into the<br> unexplored physical properties of Ba3SbBr3, providing a solid foundation for future research<br> endeavors. The findings presented here serve as a valuable reference and inspiration for further<br> theoretical and experimental studies in this rapidly evolving field. The knowledge gained from<br> this research holds great promise for advancing the development of solar engineering and device<br> technologies.</p>
Dataset_How Halides Alloying Influences the Optoelectronic Quality in Tin-Halide Perovskite Solar Absorbers_BOLLA_v1
<p>The dataset contains the raw data used in the publications: How Halides Alloying Influences the Optoelectronic Quality in Tin-Halide Perovskite solar Absorbers. More specifically it contains the main photovoltaic parameters used to plot the statistic of solar cells, the photothermal deflection spectroscopy data with respective linear fits and the transient absorption spectra. </p>
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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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