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To illustrate its usability, we compare the adsorption potentials obtained with DFT of I*, Br*, Cl*, and SO4*on Pt(111) and Au(111) and OH*and Ag*on Pt(111) with those measured experimentally and find that this simple and computationally affordable method reproduces the experimental trends.In this work a Monte-Carlo tool simulating platinum nanoparticle (NP) based strain-sensors, on flexible substrates, is presented. The tool begins by randomly placing the NPs on the simulation area, with the ability to tune the NP surface coverage. After the calculation of the conductive paths that were generated in the previous step, the whole system is represented with an equivalent circuit; the NPs and the NP clusters act as nodes and the inter-particle gaps as resistances. The effective resistance is then calculated with the use of a Laplacian Matrix, which has proven extremely effective in significantly reducing the overall computational time. The simulation results are then benchmarked with experimental measurements from actual strain-sensing devices. The software is capable of predicting the strain-sensitivity for different NP sizes as well as surface coverages, emerging as a powerful computational tool for design-optimization of NP based devices in polymeric substrates, while it could well be extended to other nanocomposite materials used in flexible or stretchable electronic applications.This study introduces the HYPERSCINT research platform (HYPERSCINT-RP100, Medscint Inc., Quebec, Canada), the first commercially available scintillation dosimetry platform capable of multi-point dosimetry through the hyperspectral approach. 1-NM-PP1 clinical trial Optic and dosimetric performances of the system were investigated through comparison with another commercially available solution, the Ocean Optics QE65Pro spectrometer. The optical characterization was accomplished by measuring the linearity of the signal as a function of integration time, photon detection efficiency and spectral resolution for both systems under the same conditions. Dosimetric performances were then evaluated with a 3-point plastic scintillator detector (mPSD) in terms of signal to noise ratio (SNR) and signal to background ratio (SBR) associated with each scintillator. The latter were subsequently compared with those found in the literature for the Exradin W1, a single-point plastic scintillator detector. Finally, various beam measurements were realized with the HYPERSCINT platform to evaluate its ability to perform clinical photon beam dosimetry. Both systems were found to be comparable in terms of linearity of the signal as a function of the intensity. Although the QE65Pro possesses a higher spectral resolution, the detection efficiency of the HYPERSCINT is up to 1000 time greater. Dosimetric measurements shows that the latter also offers a better SNR and SBR, surpassing even the SNR of the Exradin W1 single-point PSD. While doses ranging from 1 to 600 cGy were accurately measured within 2.1% of the predicted dose using the HYPERSCINT platform coupled to the mPSD, the Ocean optics spectrometer shows discrepancies up to 86% under 50cGy. Similarly, depth dose, full width at half maximum region of the beam profile and output factors were all accurately measured within 2.3% of the predicted dose using the HYPERSCINT platform and exhibit an average difference of 0.5%, 1.6% and 0.6%, respectively.We present a study of the low temperature magnetic phases of the classicalXYmodel with third nearest neighbor interactions on the honeycomb lattice at the maximally frustrated point under an external magnetic field by extensive Monte Carlo simulations. We focus on the characterization of the emergent low temperature phases, which are a direct consequence of the unusually high numbers of spins per plaquette in the model. Specifically, we show that, since thermal fluctuations partially lift the ground-state degeneracy and select the most collinear states, the selected states are those with the highest number of 'antiferromagnetic pairs' (AFp) compatible with the external magnetic field. These AFp are formed in such a way that they maximize the degeneracy of the selected submanifold of ground states. Moreover, two collinear pseudoplateaux emerge atM= 1/3 andM= 2/3. To characterize the magnetization process, we employ Monte Carlo simulations and calculate relevant order parameters to construct the complete temperature vs magnetic field phase diagram.In this study, a proximity catalysis route was developed for the fast growth of graphene/h-BN vertical heterostructures on Cu foils, which shows much improved synthesis efficiency (500 times faster than other routes) and good crystalline quality graphene (large single crystalline length up to 10μm). The key advantage of our synthesis route is the introduction of fresh Cu foil (or Cu foam) into the high-temperature zone using a turntable. At high temperatures, Cu vapor acts as a gaseous catalyst, which can reduce the energy barrier of graphene growth and promote the decomposition of carbon sources. Therefore, after the first layer of hexagonal boron nitride is grown on the Cu substrate, another layer of graphene can be grown by introducing a fresh catalyst. Our calculations have revealed the catalytic effect and graphene growth contribution of Cu vapor evaporated by the suspended catalyst. We also investigated the growth sequence of graphene from 1 to 24 carbon atoms on h-BN/Cu and determined the morphology evolution of these carbon clusters. In this regard, multilayer stacked heterogeneous structures can be synthesized, thus increasing their potential applications in high performance electronic devices and energy harvesting/transition directions.The structure, magnetic, and magnetocaloric (MC) properties of orthorhombic nanocrystalline GdCrO3with six particle sizes ⟨d⟩ = 87, 103, 145, 224, 318, and 352 nm are reported. The particle size was tailored by annealing under different temperatures and estimated by scanning electron microscopy. With increase in ⟨d⟩, Goldschmidt tolerance factort, orthorhombic strains, and out-of-plane Cr-O1-Cr bond angle first decrease, reaching minimum values for ⟨d⟩ = 224 nm, and then increase for sample with ⟨d⟩ = 318 nm and 352 nm, thus showing a V-shaped variation. Temperature dependence of the magnetization (M) reveals an antiferromagnetic transition atTNCr∼168K for ⟨d⟩ ⩾ 224 nm andTNCr∼167K for ⟨d⟩ less then 224 nm and an essentiallyd-independent spin-reorientation atTSR= 9 K.Mmeasured at 5 K and 7 T first increases with increase in ⟨d⟩, reaching maximum value for sample with ⟨d⟩ = 224 nm, and then decreases for samples with ⟨d⟩ = 318 nm and 352 nm, showing an inverted-V variation with ⟨d⟩. Similar ⟨d⟩-dependence is observed for the magnetic entropy change (MEC) and relative cooling power (RCP) showing a close relationship between the structural and magnetic properties of GdCrO3nanoparticles investigated here.
Read More: https://www.selleckchem.com/products/1-nm-pp1.html
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