The glass transition temperature is known to increase with decreasing film thickness h for sufficiently thin poly(methyl methacrylate) films supported by silicon oxide substrates. We show that this system undergoes a ...
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The glass transition temperature is known to increase with decreasing film thickness h for sufficiently thin poly(methyl methacrylate) films supported by silicon oxide substrates. We show that this system undergoes a CO2 pressure-induced devitrification transition, Pg, which is film thickness dependent, Pg(h)=ΔPg+Pgbulk. Pgbulk is the bulk glass transition and ΔPg can be positive or negative depending on T and P. The phenomenon of retrograde vitrification, wherein the polymer exhibits a rubbery-to-glassy-to-rubbery transition upon changing temperature isobarically, is also shown to occur in this system and it is film thickness dependent.
The enthalpy change involved in metal oxide reduction is a key quantity in various processes related to energy conversion and storage and is of particular interest for computational prediction. Often this prediction i...
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The enthalpy change involved in metal oxide reduction is a key quantity in various processes related to energy conversion and storage and is of particular interest for computational prediction. Often this prediction involves the simulation of a high-temperature reduction process with a 0-K methodology like density functional theory (DFT), and it is not infrequent for the high temperature and 0-K stable crystal structures to differ. This introduces a conundrum with regard to the choice of crystal structure to utilize in the computation, with approaches in the literature varying and experimental validation remaining scarce. In this work, we address both the crystal structure conundrum and the experimental validation, and then apply the insights we gain to guide a high-throughput search for new materials for solar thermochemical water-splitting applications. By computing the DFT+U oxygen-vacancy formation energy (ΔEvf) of a selection of ABO3 compounds and comparing different crystal structures for each composition, we highlight the issues that arise when the structure utilized in the computation is dynamically unstable at 0 K, namely the presence of an artificial lowering of ΔEvf, and the lack of convergence of ΔEvf with cell size. We solve these limitations by identifying and employing a suitable surrogate dynamically stable structure. We then validate the predictive power of our calculations against appositely generated experimental measurements of reduction enthalpy for a series of Hubbard U values, finding an accuracy ranging between 0.2–0.6 eV/O. In light of such conclusions, we revise and expand a previous a high-throughput DFT study on ABO3 perovskite oxides. We provide a list of candidate STCH materials, highlight trends with redox-active cation and structural distortion, and identify Mn4+, Mn3+, and Co3+ as the most promising redox-active cations.
Fabrication of graphene was demonstrated by electrochemical exfoliation of graphite in an ammonium hydroxide solution. The processing parameter of applied voltage was optimized to accomplish graphene productivity and ...
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In this work, cyclic atomic layer etching (ALE) was used to etch silicon nitride (SiN) to find its working conditions. To understand the mechanism behind it, we tested the ALE adsorption effect and the removal effect ...
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Shapes and structures of star-polystyrenes bearing 6 to 57-arms were in detail investigated in good and theta solvents by small-angle X-ray scattering with synchrotron radiation sources.
ISBN:
(纸本)1420063766
Shapes and structures of star-polystyrenes bearing 6 to 57-arms were in detail investigated in good and theta solvents by small-angle X-ray scattering with synchrotron radiation sources.
The stable dispersion of quantum dot nanoparticles (QD) in aqueous solution using polymers containing poly(ethylene glycol) (PEG) segment was investigated. It was found that using PEG/poly(2-N,N-dimethylaminoethyl met...
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ISBN:
(纸本)1877040193
The stable dispersion of quantum dot nanoparticles (QD) in aqueous solution using polymers containing poly(ethylene glycol) (PEG) segment was investigated. It was found that using PEG/poly(2-N,N-dimethylaminoethyl methacrylate) (PEG-b-PAMA) enables stabilization of QD in aqueous phase. The photochemical characteristics of the PEG-modified QD were found to be almost same as unmodified QD. It was observed that as he PEG/PAMA block copolymer-modified QDs possess PEG tethered chains on the surface, it is highly dispersion stable in aqueous media and also showed non-fouling character.
The formation of resonant photonic structures in porous silicon leverages the benefit of high surface area for improved molecular capture that is characteristic of porous materials with the advantage of high detection...
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The spin Seebeck effect (SSE) is sensitive to thermally driven magnetic excitations in magnetic insulators. Vanadium dioxide in its insulating low-temperature phase is expected to lack magnetic degrees of freedom, as ...
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The spin Seebeck effect (SSE) is sensitive to thermally driven magnetic excitations in magnetic insulators. Vanadium dioxide in its insulating low-temperature phase is expected to lack magnetic degrees of freedom, as vanadium atoms are thought to form singlets upon dimerization of the vanadium chains. Instead, we find a paramagnetic SSE response in VO2 films that grows as the temperature decreases below 50 K. The field and temperature-dependent SSE voltage is qualitatively consistent with a general model of paramagnetic SSE response and inconsistent with triplet spin transport. Quantitative estimates find a spin Seebeck coefficient comparable in magnitude to that observed in strongly magnetic materials. The microscopic nature of the magnetic excitations in VO2 requires further examination.
Osteoarthritis, a major global cause of pain and disability, is driven by the irreversible degradation of hyaline cartilage in the joints. Cartilage tissue engineering presents a promising therapeutic avenue, but succ...
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