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73 results for “Nitriding”
Dataset for "Zinc Germanium Nitrides and Oxide Nitrides: The Influence of Oxygen on Electronic and Structural Properties."
<p>Input files for the Quantum Espresso structure optimisations "*-relax.scf.in" and 12 x 12 x 12 MP-grid SCF "*-large-grid.scf.in" as well as lobster input files "*-lobsterin"</p>
Magnetic imaging with spin defects in hexagonal boron nitride
<p>Data relative to the publication arXiv:2207.10477</p>
Atomic resolution high-angle annular dark field scanning transmission electron microscopy imaging of WSe2 encapsulated within hexagonal boron nitride
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data for "Molten Salt-Assisted synthesis of Titanium Nitride"
<p>data supporting the main text figures:</p> <p>Figure 1. A) XRD patterns of solid state metatheses at 1000, 600, or at 600 °C with the addition of two equivalents Mg. B) XRD patterns of synthesesin different molten salts (1.25 mmol of TiO2 in 544 mg of salt, yielding a titanium molality of 2.3 mol kg –1 ) with additional Mg. References of TiN (ICSD26947), TiO 2 (ICSD 9161), and silicon are indicated in blue, red, and green, respectively. The diffraction patterns were normalized to the internal siliconreference.</p> <p>Figure 2. XRD patterns for 12 or 3 h reactions of TiO 2 with A) Mg3 N2 or B) Ca 3 N2 at various temperatures in ZnCl 2 –LiCl molten salt (3 equivalentssalt). Two equivalents of magnesium were added in each case, except for the solid-state metathesis reactions at 1000 °C. References of TiN, TiO 2 , andsilicon are indicated in blue, red, and green, respectively. The diffraction patterns were normalized to an internal silicon reference for the reactions withCa 3 N2 </p> <p>Figure 3. A) UV–vis absorption spectra of the TiN particles dispersed in various solvents. Inset: the top of the LSPR band in function of the refractiveindex of each solvent and B) TEM image for TiN synthesized at 350 °C through a standard 12 h molten salts-assisted reaction.</p>
(DATA) Exploring the potential of boron-nitride nanobelts in environmental applications: greenhouse gases capture
<ul> <li>Input structures.</li> <li>Scrip to run all the calculations.</li> <li>Output files from several calculations.</li> </ul>
Supplementary Data: Heat transport in pristine and polycrystalline single-layer hexagonal boron nitride
<p>This is part of the supplementary material for the manuscript ``Heat transport in pristine and polycrystalline single-layer hexagonal boron nitride'' by Haikuan Dong, Petri Hirvonen, Zheyong Fan, and Tapio Ala-Nissila. Phys. Chem. Chem. Phys. <a href="http://dx.doi.org/10.1039/C8CP05159C">http://dx.doi.org/10.1039/C8CP05159C</a> [https://arxiv.org/abs/1806.07936]</p> <p>There are 6*8=48 files, each corresponding to a flat polycrystalline h-BN sample before molecular dynamics relaxation.</p> <p>In each file, the first row gives the lengths Lx and Ly (Lx=Ly) in the x and y directions, which will be used to set up the box in molecular dynamics simulations.</p> <p>Starting from the second row, the first column gives the atom types (0 for B and 1 for N), the second column gives the x coordinates and the third column gives the y coordinates.</p> <p>The number of atoms equals the number of rows in the file minus 1.</p> <p>The files are named as poly-a-b.xy, where "a" roughly corresponds to the linear size Lx and "b" labels the 8 samples for each size.</p> <p>The grain size d and the linear size Lx are related by d=Lx/4, so the 6 grain sizes are 10, 12.5, 17.5, 25, 37.5, and 50 nm.</p> <p> </p>
Photo-induced cascaded harmonic and comb generation in silicon nitride microresonators
<p>The data and code used to produce the results in the paper "Photo-induced cascaded harmonic and comb generation in silicon nitride microresonators". </p>
Reactivity of Multimetallic Thorium Nitrides Generated by Reduction of Thorium Azides
<p>This upload contains raw data (NMR, X-Ray, Elemental Analysis) files for the article</p>
First-in-man Study of Titanium-Nitride Coated Woven-nitinol Peripheral Arterial Stent
ClinicalTrials.gov study NCT02499510. IPD Sharing: Not stated. Countries: 1. Publications: 12.
Titanium Nitride Oxide Coated Stents and Paclitaxel Eluting Stents for Acute Myocardial Infarction
ClinicalTrials.gov study NCT00495664. IPD Sharing: Not stated. Countries: 1. Publications: 2.
Comparison of Titanium-Nitride-Oxide Coated Bio-Active-Stent (Optimax™) to the Drug (Everolimus) -Eluting Stent (Synergy™) in Acute Coronary Syndrome
ClinicalTrials.gov study NCT02049229. IPD Sharing: Not stated. Countries: 1. Publications: 3.
Preparation of Phosphorus doping modification of porous boron nitride and its adsorption characteristics for heavy metals in flue gas
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Dataset for: Unraveling the Optical Signatures of Polymeric Carbon Nitrides: Insights into Stacking-Induced Excitonic Transition
<p>This file contains a set of input and output data for simulations.</p>
Experimental data for Emerging contaminants and pathogenic microorganisms elimination in secondary effluent by graphitic carbon nitride photocatalytic ozonation processes
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Data and codes for "Weak localization in boron nitride encapsulated bilayer MoS2"
<p>Data sets from the article "Weak localization in boron nitride encapsulated bilayer MoS2"</p>
Mechanochemically-derived Fe atoms on defective boron nitride for stable propylene production
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Density functional theory study of Mobius boroncarbon-nitride as potential CH4, H2S, NH3, COCl2 and CH3OH gas sensor
<p>The interesting properties of Mobius structure and Boron-Carbon-Nitride inspired this research to study different characteristics of Mobius Boron-Carbon-Nitride (MBCN) nanoribbon. The structural stability, vibrational, electrical, and optical properties are analyzed using the density functional theory. The gas sensing ability of the modeled MBCN structure was also studied for CH<sub>4</sub>, H<sub>2</sub>S, NH<sub>3</sub>, COCl<sub>2</sub>, and CH<sub>3</sub>OH gases. The negative adsorption energy and alteration of electronic bandgap verified that MBCN is very sensitive toward the selected gases. The complex structures showed a high absorption coefficient with strong chemical potential and 7 ps- 0.3 ms recovery time. The negative change in entropy signifies that all the complex structures were thermodynamically stable. Among the selected gases, the MBCN showed the strongest interaction with CH<sub>3</sub>OH gas.</p>
(DATASET) Möbius boron-nitride nanobelts interacting with heavy metal nanoclusters
<ul> <li>Input structures.</li> <li>Scrip to run all the calculations.</li> </ul>
Advancing Thermal Management with Machine Learning Potentials on Boron Nitride (BN) and Other Group 13 Nitrides
<p>Machine Learning Interatomic Potentials for Bulk and Bilayer Materials (M = B, Al, Ga, and In): Extraction of Phonons and 3rd Order Interatomic Force Constants</p>
Density functional theory study of Mobius boroncarbon-nitride as potential CH4, H2S, NH3, COCl2 and CH3OH gas sensor
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Allen Brain Atlas
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DANDI Archive for NWB datasets
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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.