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252 results for “Doping”
Spin density studies of tetrahedral Cu(II) ions doped into porous zeolitic imidazolate frameworks
<p><strong>Description of the dataset:</strong></p> <ul> <li><strong>Data type</strong>: Experimental spectroscopic measurements</li> <li>Files are with filename extensions: <strong>spc, par, dsc, dta, out, and oof</strong></li> <li>Information on <strong>origin of the data</strong>:</li> <li>The X-band continuous wave (CW) EPR spectroscopic measurements were generated by EMX spectrometer equipped with ER 4119 HS Resonator. The raw data extensions: spc and par.</li> <li>The Q-band pulsed EPR experiments (Davies and Mims ENDOR) were conducted using a Bruker Elexsys E580 spectrometer with a SuperQ-FT microwave bridge. The raw data extensions: dsc and dta.</li> <li>Periodic geometry optimizations were carried out by using the replicated data-parallel version of CRYSTAL17 code within the framework of Density Functional Theory (DFT) exploiting the hybrid B3LYP method. Molecular cluster calculations were carried out with ORCA (v5.0.2) code.</li> </ul> <ul> <li><strong>Folders are classified based on the type of measurement conducted.</strong></li> </ul> <ul> <li><strong>Additional Information </strong>: <ul> <li>specialized abbreviations: <strong>EPR</strong> – Electron Paramagnetic Resonance, <strong>ZIF</strong> – Zeolitic imidazolate frameworks, <strong>HYSCORE</strong>- Hyperfine sublevel correlation, <strong>ENDOR </strong>- Electron nuclear double resonance, <strong>EDFS </strong>- Echo-detected field sweep, <strong>ESEEM- </strong>electron spin echo envelope modulation, <strong>Act - </strong>activated.</li> <li>definitions of variables: <strong>magnetic field, pulse sequence, microwave power.</strong></li> <li>units of measurement: <strong>Gauss (G), milliTesla (mT), nanosecond(ns), microwave power (dB), Kelvin (K), Cu dopant percentage (%)</strong>.</li> <li>abbreviations on the data filename for pulsed EPR results: Dates, sample name, sample state, type of experiments (including the pulse delay tau or d1), temperature, number of scan, baseline correction if indicated.</li> </ul> </li> </ul>
Research Data for "Promoting effect of interfacial hole accumulation on photoelectrochemical water oxidation in BiVO4 and Mo doped BiVO4"
<p>This dataset supports the Figures and Tables for the publication "Promoting effect of interfacial hole accumulation on photoelectrochemical water oxidation in BiVO4 and Mo doped BiVO4" published in Advanced Powder Materials under <a href="https://doi.org/10.1016/j.apmate.2024.100234" rel="noreferrer">https://doi.org/10.1016/j.apmate.2024.100234</a></p>
Dataset for publication: "Structural and spectroscopic studies of lithium tetraborate glass co-doped with Sm and Cu"
<p>Dataset for the article: B.V. Padlyak, I.I. Kindrat, V.T. Adamiv, A. Drzewiecki, B. Cieniek, I. Stefaniuk, Structural and spectroscopic studies of lithium tetraborate glass co-doped with Sm and Cu, Phys. Chem. Chem. Phys. 26 (2024) 22006–22022, https://doi.org/10.1039/d4cp01633e.</p>
Dataset for 2D Rhenium- and Niobium-Doped WSe2 Photoactive Cathodes in Photo-Enhanced Hybrid Zn-Ion Capacitors
<p>The dataset contains all relevant data and figures regarding the manuscript "2D Rhenium- and Niobium-Doped WSe2 Photoactive Cathodes in Photo-Enhanced Hybrid Zn-Ion Capacitors".</p> <p>All Figures are in tiff format and all relevant data are in csv formats. </p> <p>The data in csv format are labelled as specified in the corresping images (e.g. Figure 1a csv file corresponds to data used to plot graphs from Figure 1a etc.). </p> <p>Axis labeling and units are always specified at the beginning of individual columns. If more than one curve was plotted from the csv file, the conditions can also be found at the beginning of corresponding columns.</p>
A data set on "High-Yield Production of SiV-Doped Nanodiamonds for Spectroscopy and Sensing Applications"
<p>The data set to paper: </p> <p>High-Yield Production of SiV-Doped Nanodiamonds for Spectroscopy and Sensing Applications</p> <p>Alexander Kromka1,*, Marián Varga1,2, Kateřina Aubrechtová Dragounová1,3, Oleg Babčenko1, René. Pfeifer1, Assegid M. Flatae4, Florian Sledz4, Farzana Akther4, Mario Agio4,5, Štěpán Potocký1, Štěpán Stehlík1</p> <p>1 Institute of Physics, Czech Academy of Sciences, Prague 6, Czech Republic<br>2 Institute of Electrical Engineering, Slovak Academy of Sciences, Bratislava, Slovakia<br>3 Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Prague 1, Czech Republic<br>4 Laboratory of Nano-Optics and Cμ, University of Siegen, Walter-Flex-Str. 3, 57072 Siegen, Germany <br>5 National Institute of Optics (INO-CNR), Largo Enrico Fermi 6, 50125 Florence, Italy</p> <p>*corresponding authors: kromka@fzu.cz</p> <p>Data manager: Kristýna Dostálová: dostalovak@fzu.cz</p> <p>Date of data collection: 1. 2. 2023 - 31. 7. 2024</p> <p>All the data showed in the pictures are provided in X-Y format with described sample. Always, the respective figure to which the data belong is provided in high resolution. <br>The data are in the following formats: <br>Scheme 1: pdf<br>Figure 1: pdf<br>Figure 2: pdf<br>Figure 3: pdf, csv<br>Figure 4: pdf, csv<br>Figure 5: pdf, csv<br>Figure 6: pdf, csv<br>Figure 7: pdf, csv<br>Figure S1: pdf, csv<br>Figure S2: pdf, csv</p> <p>The comma separated values file (csv) always contain the description of the columns in the first row. In case of composed image the name of the file corresponds to the corresponding figure.</p> <p>Data acquistion and processing is provided in the Experimental part in the publication: DOI: 10.1021/acsanm.4c04676</p>
Data for "2D Nitrogen-Doped Graphene Materials for Noble Gas Separation"
<p>Datasets for the figures used in a manuscript accepted in Small Journal (10.1002/smll.202408525)</p> <p>Full author list:</p> <p>Veronika Šedajová#, Min-Bum Kim#, Rostislav Langer, Gobbilla Sai Kumar, Lili Liu, Zdeněk Baďura, James V. Haag, Giorgio Zoppellaro, Radek Zbořil, Praveen K Thallapally*, Kolleboyina Jayaramulu*, Michal Otyepka*</p> <p>Title: 2D Nitrogen-Doped Graphene Materials for Noble Gas Separation</p> <p>Affiliations:</p> <p>Dr. V. Šedajová, Dr. Z. Baďura, Dr. G. Zoppellaro, Prof. R. Zbořil, Prof. K. Jayaramulu and Prof. M. Otyepka<br>Regional Centre of Advanced Technologies and Materials, Czech Advanced Technology and Research Institute (CATRIN), Palacký University Olomouc, Šlechtitelů 27, 783 71, Olomouc, Czech Republic.<br>Email: michal.otyepka@upol.cz <br>Email: jayaramulu.kolleboyina@iitjammu.ac.in</p> <p>Dr. MB. Kim, Dr. Lili Liu, Dr. J.V. Haag, Prof. P. K Thallapally<br>Energy and Environmental Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States<br>Email: Praveen.Thallaplly@pnnl.gov</p> <p>Prof. K. Jayaramulu, Dr. G.S. Kumar<br>Hybrid Porous Materials Laboratory, Department of Chemistry, Indian Institute of Technology Jammu, Jammu and Kashmir 181221, India</p> <p>Dr. Z. Baďura, Dr. G. Zoppellaro, Prof. R. Zbořil<br>Nanotechnology Centre, CEET, VŠB-Technical University of Ostrava, 17. listopadu 2172/15, Ostrava-Poruba 708 00, Czech Republic.</p> <p>Prof. M. Otyepka, Dr. R. Langer<br>IT4Innovations, VŠB–Technical University of Ostrava, 17. listopadu 2172/15, 708 00 Ostrava-Poruba, Czech Republic</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>
Interplay between Li and Na amid co-doped solution-processed Cu2ZnSn(S,Se)4 absorbers for solar cells
<p>Alkali doping and alloying are well-known strategies to improve the performance of Cu<sub>2</sub>ZnSn(S,Se)<sub>4</sub> (CZTSSe) absorber based thin film solar cells. The effects of individual light alkali elements such as Li and Na have been thoroughly investigated, with both dopants resulting in significant improvements in performance of CZTSSe solar cells. Here, the combined effects of Li and Na are investigated in a so-called co-doping approach to capture the benefits from both elements simultaneously. In order to do that, various concentrations of Li and Na between 0.0 M and 0.5 M are added to the solution used for spin coating of the precursor layer. After annealing under Se-enriched atmosphere, the two alkali elements displayed mutual dependency of in terms of their concentrations in the CZTSSe absorber layer. Furthermore, both, Li and Na showed signs of forming alloys with the CZTSSe phase. The efficiencies of the best Li-Na co-doped solar cells are above 10%, slightly above the Li baseline thanks to increased open-circuit-voltage and short-circuit current. A non-negligible Na incorporation was observed even in nominally Na-free devices, likely from indirect contamination from the SLG substrate. Further work is needed to better understand Na-poor compositions and draw conclusions relevant to Na-free substrates.</p>
Dataset: Tailoring the Magnetic and Structural Properties of Manganese/Zinc Doped Iron Oxide Nanoparticles through Microwaves-Assisted Polyol Synthesis
<p>Data set</p>
Gaussian Approximation Potential for C-doped Boron Nitride
<p>This is an GAP potential for amorphous boron nitride samples. It is trained based on datasets generated with ab-initio molecular dynamics and DFT. It can be used with pair_style quip command. </p>
Data files for "Ground state and spectral properties of the doped one-dimensional optical Hubbard-Su-Schrieffer-Heeger model"
<p>This repo contains the relevant data files for the paper D. Banerjee et al., "Ground state and spectral properties of the doped one-dimensional optical Hubbard-Su-Schrieffer-Heeger model". (2023) Preprint: arXiv:2303.10193</p> <p> </p>
Structure files of La doped Co spinel
<p>The CIF files for La doped Co spinel at (111) (110) and (100) facets, used for Pourbaix diagram calculation</p>
La and Mn-doped cobalt spinel oxygen evolution catalyst for proton exchange membrane electrolysis
<p>Finding electrocatalysts using earth-abundant materials as a replacement to iridium for oxygen-evolution reaction (OER) in proton exchange membrane water electrolyzer (PEMWE) represents a critical step in reducing the cost for green hydrogen production. We report here a nanofibrous cobalt spinel catalyst co-doped with lanthanum and manganese prepared from zeolitic imidazolate framework embedded in electrospun polymer fiber. The catalyst demonstrated a low overpotential of 353 millivolts at 10 milliamperes per square centimeter and a low degradation for OER over 360 hours in acidic electrolyte. PEMWE containing this catalyst at anode demonstrated a current density of 2000 milliamperes per square centimeter at 2.47 volts (Nafion® 115 membrane) or 4000 milliamperes per square centimeter at 3.00 volt (Nafion® 212 membrane), and low degradation in accelerated-stress-test. High-resolution electronic microscopy and operando X-ray absorption spectroscopy, combined with computational modeling, revealed the different functions of lanthanum, manganese, and cobalt in enabling enhanced activity, conductivity and acidic tolerance within the OER operating window.</p>
Doping of molecular semiconductors through proton-coupled electron transfer
<p>Doping of molecular semiconductors through proton-coupled electron transfer was conducted. Doping levels, electronic properties, and thin film structures of doped polymeric semiconductors were evaluated through conductivity, UV-Vis-NIR absorption, photoelectron yield, x-ray photoelectron, and x-ray diffraction measurements, where proton-coupled electron transfer reaction enable precise control of doping levels depending on pH of doping solutions under ambient conditions.</p>
Raman spectra for 15 thin films of ZnO and ZnO doped with Sn, Al, Co, Cu
<p>Raman spectra for 15 thin film ZnO and ZnO doped with Sn, Al, Co, Cu received from Dr. Iulia ANTOHE.</p>
Drainage Of Pleural Effusions in the Intensive Care Unit (DOPE-ICU) - Feasibility Trial
ClinicalTrials.gov study NCT06709456. IPD Sharing: YES. Countries: 1. Publications: 0.
Intranasal Delivery of Testosterone and Its Effect on Doping Markers
ClinicalTrials.gov study NCT02611154. IPD Sharing: NO. Countries: 1. Publications: 6.
Efficacy of Fractional Microneedle Radiofrequency and Fractional Erbium-Doped Glass 1,565-nm for Baggy Lower Eyelids
ClinicalTrials.gov study NCT04237324. IPD Sharing: NO. Countries: 1. Publications: 31.
DFT investigation on the application of pure and doped X12N12 (X = B and Al) fullerene-like nano-cages towards the adsorption of temozolomide
Open the record for dataset details and reuse information.
La and Mn-doped cobalt spinel oxygen evolution catalyst for proton exchange membrane electrolysis
Open the record for dataset details and reuse information.
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