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67 results for “excitons”
Dataset for Machine Learning Framework for Modeling Exciton-Polaritons in Molecular Materials
<p>The data consists of several NumPy arrays saved in the binary format (npy files) with a total size of 108 MB. The details of these files are listed below.</p> <table> <tbody> <tr> <td> <p><strong>Filename and path</strong></p> </td> <td> <p><strong>Description</strong></p> </td> </tr> <tr> <td> <p>training/azo_R.npy</p> </td> <td> <p>Coordinates for training</p> </td> </tr> <tr> <td> <p>training/azo_Z.npy</p> </td> <td> <p>Atomic indices for training</p> </td> </tr> <tr> <td> <p>training/azo_E.npy</p> </td> <td> <p>Molecular energies for training</p> </td> </tr> <tr> <td> <p>training/azo_D.npy</p> </td> <td> <p>Transition dipoles for training</p> </td> </tr> <tr> <td> <p>training/azo_ScaledNACR.npy</p> </td> <td> <p>Non-adiabatic coupling vectors scaled by energy difference for training</p> </td> </tr> <tr> <td> <p>scan/azo_R.npy</p> </td> <td> <p>Coordinates for PES scan</p> </td> </tr> <tr> <td> <p>scan/azo_Z.npy</p> </td> <td> <p>Atomic indices for PES scan</p> </td> </tr> <tr> <td> <p>scan/azo_E.npy</p> </td> <td> <p>Molecular energies for PES scan</p> </td> </tr> <tr> <td> <p>scan/azo_D.npy</p> </td> <td> <p>Transition dipoles for PES scan</p> </td> </tr> <tr> <td> <p>scan/azo_ScaledNACR.npy</p> </td> <td> <p>Non-adiabatic coupling vectors scaled by energy difference for PES scan</p> </td> </tr> <tr> <td> <p>spectrum/azo_R.npy</p> </td> <td> <p>Coordinates for spectrum calculations</p> </td> </tr> <tr> <td> <p>spectrum/azo_Z.npy</p> </td> <td> <p>Atomic indices for spectrum calculations</p> </td> </tr> <tr> <td> <p>spectrum/azo_E.npy</p> </td> <td> <p>Molecular energies for spectrum calculations</p> </td> </tr> <tr> <td> <p>spectrum/azo_D.npy</p> </td> <td> <p>Transition dipoles for spectrum calculation</p> </td> </tr> </tbody> </table>
Panchromatic Light-Harvesting Antenna by Supramolecular Exciton Band Engineering for Heteromeric Dye Foldamer
<p>Data to report <a href="https://doi.org/10.1016/j.chempr.2024.05.023">https://doi.org/10.1016/j.chempr.2024.05.023</a>:</p> <p>Natural photosystems accomplish panchromatic light absorption by different chromophores that are non-covalently embedded in protein matrices and mostly lack close dye-dye interactions. In this article, we introduce a light-harvesting (LH) system established by four different merocyanine dyes that are co-facially stacked by dipole-dipole interactions and a peptide-like backbone in a folded heteromer architecture to afford a panchromatic absorption band consisting of several strongly coupled exciton states. This exciton manifold allows for ultrafast and efficient energy transport in the artificial antenna. Furthermore, due to the tight stacking of the dyes in their folded state, non-radiative processes are slowed down, thereby increasing the lifetime of the excited state and the fluorescence quantum yield from <3% for the individual dyes up to 38% for the folda-heteromer. Together with the panchromatic absorption, this leads to a substantial improvement of the fluorescence brightness upon broadband excitation in comparison with its constituent chromophores.</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>
From the hot carrier solar cell to the intermediate band solar cell, passing through the multiple-exciton generation solar cell and then back to the hot carrier solar cell: the Dance of the Electro-chemical Potentials
<p>Presentation titled "From the hot carrier solar cell to the intermediate band solar cell, passing through the multiple-exciton generation solar cell and then back to the hot carrier solar cell: the Dance of the Electro-chemical Potentials" given by Antonio Marti at the 36th European PV Solar Energy Conference and Exhibition in Marseille, in September 2019.</p>
Data for "Low Barrier for Exciton Self-Trapping Enables High Photoluminescence Quantum Yield in Cs3Cu2I5"
<p>All structure files, including points along the configurational coordinate diagram, and data for optical spectra</p> <p> </p>
Experimental data of "Magneto-exciton limit of quantum Hall breakdown in graphene"
<p>These files are the measurements presented in A. Schmitt et al. manuscript. AuS2_xxT.csv files are the breakdown measurements with current and noise function of bias. Each file is obtained for a different magnetic field in teslas (T).</p> <p>The low-bias_AuS2.csv file contains all the data for the low bias fan-charts of fig. 1</p>
One-particle and excitonic band structure in cubic Boron Arsenide
<p><strong>Data for "One-particle and excitonic band structure in cubic Boron Arsenide"</strong></p> <p>The two directories are for calculations with (soc) and without (nosoc) SOC. Launching the supplied scripts in either will generate the BSE optics data (with opt.sh) and projected bands/DOS (with spd.sh) respectively.</p> <p>File description ([^1-2]):</p> <ul> <li> init.bas: initial structure definition</li> <li> ctrl.bas: main input file</li> <li> site.bas: structure input</li> <li> basp.bas: basis definition</li> <li> rst.bas: density/restart file</li> <li> sigm.bas: self-energy</li> <li> switches-for-lm: command line switches used across the scripts</li> </ul> <p>--</p> <p>[^1]: https://www.questaal.org/docs/input/inputfile/</p> <p>[^2]: https://www.questaal.org/docs/input/data_format/</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>
Picosecond time-resolved antibunching measures nanoscale exciton motion, annihilation, and true number of chromophores
<p>The particle-like nature of light becomes evident in the photon statistics of fluorescence of single quantum systems as photon antibunching. In multichromophoric systems, exciton diffusion and subsequent annihilation occur. These processes also yield photon antibunching but cannot be interpreted reliably. Here, we develop picosecond time-resolved antibunching (psTRAB) to identify and decode such processes. We use psTRAB to measure the true number of chromophores on well-defined multichromophoric DNA-origami structures, and precisely determine the distance-dependent rates of annihilation between excitons. Further, psTRAB allows us to measure exciton diffusion in mesoscopic H- and J-type conjugated-polymer aggregates. We distinguish between one-dimensional intra-chain and three-dimensional inter-chain exciton diffusion at different times after excitation and determine the disorder-dependent diffusion lengths. Our method provides a new lens through which excitons can be studied at the single-particle level, enabling the rational design of improved excitonic probes such as ultra-bright fluorescent nanoparticles, and materials for optoelectronic devices. Here we demonstrate the raw data of DNA Origami Microscopy on which our findings based on. </p>
The Quadratic Zeeman effect used for state-radius determination in neutral donors and donor bound excitons in Si:P.
<p>Raw experimental data of Photoluminescence as a function of magnetic field for phosphorus impurity in silicon at 4.2K. First column is energy in meV, the other columns are the photo-luminescence intensities in arbitrary units measured at different magnetic fields. The first row indicates the values of the magnetic fields presented in each column. The photo-luminescence measured at 10T (and presented in this dataset as column 11) is shown in the paper as Fig.2. </p>
Collective interlayer pairing and pair superfluidity in vertically stacked layers of dipolar excitons - data
<p>Data files for the figures appearing in the PNAS paper "Collective interlayer pairing and pair superfluidity in vertically stacked layers of dipolar excitons".</p> <p> </p> <p> </p>
Dataset of "Direct Observation of Shallow Trap States in Thermal Equilibrium with Band-Edge Excitons in Strongly Confined CsPbBr3 Perovskite Nanoplatelets""
<p>Dataset underpinning the published article:</p> <p>Direct Observation of Shallow Trap States in Thermal Equilibrium with Band-Edge Excitons in Strongly Confined CsPbBr<sub>3</sub> Perovskite Nanoplatelets</p> <p><em>Adv. Optical Mater.</em> <strong>2021</strong>, <em>9</em>, 2001308. DOI: <a href="http://doi.org/10.1002/adom.202001308">10.1002/adom.202001308</a></p>
Dataset of "Exciton, Biexciton, and Hot Exciton Dynamics in CsPbBr3 Colloidal Nanoplatelets"
<p>Dataset underpinning the published article:</p> <p>B. R. C. Vale; E. Socie; A. Burgos-Caminal; J. Bettini; M. A. Schiavon and J.-E. Moser.<br> Exciton, Biexciton, and Hot Exciton Dynamics in CsPbBr<sub>3</sub> Colloidal Nanoplatelets<br> <em>J. Phys. Chem. Lett. </em><strong>2020</strong>, <em>11</em>, 387-394; <a href="https://pubs.acs.org/doi/10.1021/acs.jpclett.9b03282">DOI: 10.1021/acs.jpclett.9b03282.</a>.</p>
Engineering the Radiative Dynamics of Thermalized Excitons with Metal Interfaces
<p>Here we analyze the emission properties of excitons in two metal structures: placed near a single metal (silver) interface and placed symmetrically at the center of a Fabry-Perot microcavity. The exciton is modeled as a point dipole and as an extended 2D dipole. With the momentum dependent emission rates for the extended exciton, we can also examine its temperature dependent behavior by applying a momentum distribution. We investigate the cases of a Maxwell-Boltzmann statistical distribution and a Bose-Einstein statistical distribution (since excitons form composite bosons). </p> <p>The dataset provided are the Mathematica codes used to generate the plots in our paper. The point dipole results are contained in the notebook files: Emission Rate 2, Multiple Interfaces, Multiple Interfaces_Par (1), and Multiple Interfaces_Perp. The extended exciton results are contained in the notebook files: Extended Exciton 2-3 and BE stats. </p>
Perfect Coulomb drag and exciton transport in an excitonic insulator
Open the record for dataset details and reuse information.
Data Set "Benchmarking of Vibrational Exciton Models Against Quantum-Chemical Localized-Mode Calculations"
<p>This data set accompanies the publication "Benchmarking of Vibrational Exciton Models Against Quantum-Chemical Localized-Mode Calculations" <br>by Anna M. van Bodegraven, Kevin Focke, Mario Wolter, and Christoph R. Jacob <br>(TU Braunschweig, Germany) </p> <p>It contains the following files:</p> <p><br>Directory '01_AIM':</p> <p> - input (structure.pdb, topol.top and *_input.txt) and results (*.log and<br> Hamiltonian/AtomPos/Dipole/Parameters.txt) from frequency calculations<br> with the Amide-I-maps (AIM) program for six polypeptide test cases<br> (1gpB_310, ala_310, ala_hairpin, ala_helix, ala_strand, and trpzip), <br> each in vacuo or water with three different maps (Jansen, Skinner, <br> Tokmakoff) for 11 snapshots based on a MD run.<br> To rerun the calculations, you will have to change the paths in <br> the *_input.txt files (topfile, trjfile, sourcedir) accordingly<br> <br>Directory '02_SNF':</p> <p> - results (*.dat, *.out, coord and control) from frequency calculations <br> using Turbomole, SNF, and LocVib for six polypeptide test cases<br> (1gpB_310, ala_310, ala_hairpin, ala_helix, ala_strand, and trpzip) <br> each in vacuo or water for snapshots based on an MD run.<br> <br>Directory '03_NMA':</p> <p> - coordinates and results from pyADF for NMA molecules each alligned <br> with a peptide bond from the six polypeptide test cases<br> (1gpB_310, ala_310, ala_hairpin, ala_helix, ala_strand, and trpzip) <br> each in water for 11 snapshots based on a MD run and input <br> (*_input.txt) and results (*.log and Hamiltonian/AtomPos/Dipole/Parameters.txt) <br> from calculations with the Amide-I-maps (AIM) program<br> <br>Directory '04_Handling_Data':</p> <p> - contains all used notebooks to extract the data, plot the figures <br> and calculate the errors<br> - RMSD_Error_vacuo/water.ipynb is used to calculate the overall shifts <br> and generates a map-dependent mean value to shift the frequencies of AIM<br> - Frequencies.ipynb and Couplings.ipynb are used to plot the figures <br> - RMSD_values_vacuo/water.ipynb show the calculations for the statistical <br> analysis<br> To use the notebooks, start with the Dictionary_setup_for_data_for_paper.ipynb <br> to set up the main dictionary from the calculated data</p>
Lasing of moiré trapped MoSe2/WSe2 interlayer excitons coupled to a nanocavity
<p>Moiré trapped interlayer excitons (IXs) in heterobilayer transition metal dichalcogenides currently attract strong interest due to their potential for non-classical light generation, coherent spin-photon interfaces and exploring novel correlated phases of electrons. Here, we report lasing of moiré trapped IXs by integrating a pristine hBN-encapsulated MoSe<sub>2</sub>/WSe<sub>2</sub> heterobilayer in a high-Q (> 104) nanophotonic cavity. We control the detuning between the IX line and the cavity mode with a magnetic field and measure the dipolar coupling strength to the cavity mode to be 78 ± 4 μeV, fully consistent with the 82 μeV predicted by theory. The emission from the cavity mode shows clear threshold-like behavior. We observe a superlinear power dependence accompanied by a narrowing of the linewidth as the distinct features of lasing. The onset and prominence of these threshold-like behaviors are significant at resonance whilst weak off-resonance. Our results show that a lasing transition can be induced in interacting moiré trapped IXs with macroscopic coherence extending over the lengthscale of the cavity mode. Such systems raise interesting perspectives for low-power switching and synaptic nanophotonic devices using 2D materials.</p>
First-principles simulations of exciton transfer between N-heterocyclic carbene iridium (III) complexes in blue organic light-emitting diodes
<p>N-heterocyclic carbene (NHC) iridium (III) complexes are promising for the use as blue emitters in organic light-emitting diodes. Exciton transfer between such organometallic complexes is investigated using time-dependent density functional theory calculations. Casida's equation is solved to study absorption and emission of the neutral and charged complexes using the ORCA package. The Sternheimer equation implemented in the Octopus code is extended to take into account spin-orbit coupling and is applied to investigate triplet excitations. Real-time propagation as implemented in the Octopus code is used to simulate exciton dynamics in an emitter dimer and to extract the exciton coupling via explicit integration of transition densities.</p>
Dataset for Bright Excitonic Fine Structure in Metal-Halide Perovskites: From Two-Dimensional to Bulk
<p>This is the dataset of Posmyk, Katarzyna, et al. "Bright Excitonic Fine Structure in Metal-Halide Perovskites: From Two-Dimensional to Bulk." Journal of the American Chemical Society (2024). It consists of multiple subfolders, in which polarization resolved optical spectra and high magnetic field optical spectra can be found. In each subfolder, one can find raw data for photoluminescence and reflectivity spectra.</p> <p>n1 indicates the thickness of the inorganic quantum well (in this case n=1).</p> <p>filename structure: <br>Spot6_A_pol_win527_1uW_number of aquisitions _ aquisition time _HW_X.csv</p> <p><br>A:photoluminescence (PL) or reflectance (R)<br>X: degree on the half-wave plate</p> <p>pol/nonpol - polarised/nonpolarised<br>Excitation power: x uW <br>Spoty6 - spot on the sample<br>Grating center: win527 - 527 nm</p>
Dataset for Exciton Fine Structure in 2D Perovskites: The Out‐of‐Plane Excitonic State
<p><span>This dataset includes raw photoluminescence and transmission spectra acquired at zero and high magnetic field (identified by the folder name). Samples of different origins have been identified and the folder name includes the institution where the sample was synthetized. In the filename, one can find the information concerning the excitation power used, the wavelength of the excitation laser, the acquisition time, the degree read out on the half-wavelength plate.</span></p> <p><span>PL _ 5K_0.5uW_511.5nm_spot8 _aquisition time _ number of aquisitions _ X.csv</span></p> <p><span> </span></p> <p><span>R _5K_ 1uW_511.5nm _ aquisition time _ number of aquisitions _spot8 _ X.csv</span></p> <p><span> </span></p> <p><span>X: degree on the half-wave plate</span></p> <p><span> </span></p> <p><span>Temperature:5K</span></p> <p><span>Excitation power: x uW </span></p> <p><span>Spot y - spot on a sample</span></p> <p><span>Grating center: zzz nm</span></p>
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Allen Brain Atlas
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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.