Materials Literature
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Recently we proposed a new constant-pressure molecular dynamics method for finite systems. In this paper, we discuss the current understanding of this method and its technique details. We also review the recent theoretical advances of nano-system under pressure by using this method.
Structure and magnetic properties of the compounds $Zn_{1-x}Cu_xCr_2O_4$ (ZCCO) are investigated systematically. A structural phase transition from space-group symmetry $Fd3m$ to $I4_1/amd$ is observed in ZCCO. The critical value of the doping, $x$, appears at $0.58\sim 0.62$ through the appearance of a splitting of d…
We study the self-assembly of peptide amphiphile (PA) molecules, which is governed by hydrophobic interactions between alkyl tails and a network of hydrogen bonds between peptide blocks. We demonstrate that the interplay between these two interactions results in the formation of assemblies of different morphology, in…
The ultrastructure of protein materials such as spider silk, muscle tissue, or amyloid fibers consists primarily of beta-sheets structures, composed of hierarchical assemblies of H-bonds. Despite the weakness of H-bond interactions, which have intermolecular bonds 100 to 1000 times weaker than those in ceramics or met…
Aqueous dispersible detonation nanodiamonds (NDs) with a diameter of 2-8 nm were assembled into a closely packed ND multilayer nanofilm with positively charged poly-L-lysine via the layer-by-layer deposition technique. The innate biocompatibility of the NDs in both free-floating and thin-film forms was confirmed via c…
The ion-driven retention of deuterium in polycrystalline tungsten (PCW) is studied experimentally and theoretically as a function of temperature, incident ion energy, and ion fluence. Deuterium retention was investigated by thermodesorption spectroscopy and ion beam analysis. The peculiarities of deuterium behavior in…
Abstract Wide‐bandgap (WBG) semiconductors are essential materials for making short‐wavelength and transparent optoelectronic devices. However, a serious obstacle to realizing WBG semiconductor‐based devices is their common doping asymmetry problem, i.e., a WBG semiconductor can be doped easily either p‐type or n‐type…
The design and performance of the first vacuum ultraviolet (VUV) laser-based angle-resolved photoemission (ARPES) system are described. The VUV laser with a photon energy of 6.994 eV and bandwidth of 0.26 meV is achieved from the second harmonic generation using a novel nonlinear optical crystal KBe2BO3F2. The new VUV…
A simple, generalizable method is described to produce Janus colloidal particles in large quantity with control over their respective hydrophobic and hydrophilic areas (Janus balance) in large quantity. To this end, charged particles adsorb onto the liquid-liquid interface of emulsions of molten wax and water in the p…
BACKGROUND: Nanoparticulate polymeric systems (nanoparticles [Np]) have been widely studied for the delivery of drugs to a specific target site. This approach has been recently considered for the therapy of brain diseases. The major problem in accessing the CNS is linked to the presence of the blood-brain barrier. OBJ…
The temperature dependence of the dielectric and ferroelectric properties of lead-free piezoceramics of the composition (1−x−y)Bi0.5Na0.5TiO3–xBaTiO3–yK0.5Na0.5NbO3 (0.05⩽x⩽0.07, 0.01⩽y⩽0.03) was investigated. Measurements of the polarization and strain hystereses indicate a transition to predominantly antiferroelectr…
We report on the zinc oxide (ZnO) thin films obtained by the atomic layer deposition (ALD) method using diethyl zinc and water precursors, which allowed us to lower deposition temperature to below 200 °C. The so-obtained “as grown” ZnO layers are polycrystalline and show excitonic photoluminescence (PL) at room temper…
OBJECTIVE: Nephrogenic systemic fibrosis (NSF) is a serious disease affecting renal failure patients. It may be caused by some gadolinium (Gd)-containing contrast agents, including gadodiamide. The study aimed at estimating the prevalence of NSF after gadodiamide exposure for patients with chronic kidney disease (CKD)…
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Inspired by the chemistry of porphyrins, in the last decade, a new research area where porphyrin analogues such as expanded, isomeric, and contracted porphyrins have been synthesized, and their chemistry has been exploited extensively. Expanded porphyrins are macrocyclic compounds where pyrrole or heterocyclic rings a…
We report controlled syntheses of super-aligned carbon nanotube (CNT) arrays with the desired tube-diameter, number of walls, and length for spinning continuous unidirectional sheets to meet a variety of industrial demands. The tube-diameter distribution of super-aligned arrays is well controlled by varying the thickn…
Aufgrund ihres enormen wirtschaftlichen Potenzials ist die heterogene Katalyse ein wichtiges Thema für Industrie und Forschung. Das Handbuch ist konkurrenzlos und unentbehrlich für jeden, der sich mit der Anwendung des Verfahrens befasst, die zweite Auflage wurde lange erwartet. \n––– \nNow in 8 volumes, the completel…
Lead-free piezoelectric ceramics, (1−x−y)Bi0.5Na0.5TiO3–xBaTiO3–yK0.5Na0.5NbO3 (0.05⩽x⩽0.07 and 0.01⩽y⩽0.03), have been synthesized by a conventional solid state sintering method. The room temperature ferroelectric and piezoelectric properties of these ceramics were studied. Based on the measured properties, the ceram…
The study of the spatial configuration of soil, in its complexity, requires an understanding of the interrelations and interactions between the diverse soil constituents, at various levels of organization. Investigations of the spatial arrangement of the mineral and organic components of soil have benefited from the d…
Although the thermal conductivity of silicon has been studied before, current estimations for the phonon mean free paths have not provided full explanation of the strong size effects experimentally observed for various silicon micro and nanostructures. Since phonon relaxation time models are mostly semi-empirical, the…