Materials Literature
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The computation of electron repulsion integrals (ERIs) is the most time‐consuming process in the density functional calculation using Gaussian basis set. Many temporal ERIs are calculated, and most are stored on slower storage, such as cache or memory, because of the shortage of registers, which are the fastest storag…
Polarized Raman scattering measurement on single wurtzite c-plane (001) ZnO nanorod grown by hydrothermal method has been performed at room temperature. The polarization dependence of the intensity of the Raman scattering for the phonon modes A1(TO), E1(TO), and E2high in the ZnO nanorod are obtained. The deviations o…
We study the performance of a hybrid Graphene-Boron Nitride armchair nanoribbon (a-GNR-BN) n-MOSFET at its ballistic transport limit. We consider three geometric configurations 3p, 3p + 1, and 3p + 2 of a-GNR-BN with BN atoms embedded on either side (2, 4, and 6 BN) on the GNR. Material properties like band gap, effec…
Several taxa from the genus Cyclotella observed in two ancient sister lakes, Prespa and Ohrid were studied and compared to the regionally common species Cyclotella ocellata. Two new species are described from Lake Prespa and additionally Cyclotella thienemannii var. minuscula from Lake Ohrid is formally transferred to…
To investigate the possibility of whether electron-phonon coupling can enhance orbital fluctuations in iron-based superconductors, we develop an ab initio method to construct the effective low-energy models including the phonon-related terms. With the derived effective electron-phonon interactions and phonon frequenci…
For optimising the structure of in-plane-switching blue-phase liquid crystal display (IPS-BPLCD), we simulate voltage dependent transmittance curves of the cell with various cell gaps, electrodes’ gaps and electrodes’ widths, the optimised IPS-BPLCD structure with the low operate voltage, and a relatively high transmi…
We report numeric and analytic calculations of the electrostatic properties for armchair carbon nanotube–graphene junctions. Using a semi-empirical method we first demonstrate that the equilibrium distance between a carbon nanotube and a graphene sheet varies with respect to the diameter of the carbon nanotube. We fin…
Although homologs of the ATP-dependent Lon protease exist in all domains of life, the relevance of this protease in archaeal physiology remains a mystery. In this study, we have constructed and phenotypically characterized deletion and conditional lon mutants in the model haloarchaeon Haloferax volcanii to elucidate t…
A simple model on the evolution mechanism of PPy capacitance during prolonged cycling offers a reasonably description on the rapid increase and decay of PPy capacitance in 1 M 1-ethyl-3-methylimidazolium tetrafluoroborate/propylene carbonate (EtMeImBF4/PC). The capacitance of PPy films reached a very high specific cap…
Photoswitching molecules are utilized for a variety of applications where the rapid manipulation of the molecules' chemical properties and spatial orientations allows for new spatiotemporal control over molecular-scale interactions and processes. Here, we present a hydrazone-containing transition metal chelator, HAPI…
This review is divided into two interconnected parts, namely a biological and a chemical one. The focus of the first part is on the biological background for constructing tissue-engineered vascular grafts to promote vascular healing. Various cell types, such as embryonic, mesenchymal and induced pluripotent stem cells…
Hard x-ray photoelectron spectroscopy (HAXPES) is used to investigate the intrinsic electronic properties of single crystal epitaxial CdO(100) thin films grown by metal organic vapor phase epitaxy (MOVPE). The reduced surface sensitivity of the HAXPES technique relaxes stringent surface preparation requirements, there…
The performance limits of monolayer transition metal dichalcogenide (TMDC) field-effect transistors (FETs) with isotropic biaxial strain were examined with the “top-of-the-barrier” ballistic MOSFET model. Using a first-principle theory, we calculated the band structures and density of states of strained monolayer MoS2…
with its three 1,8-diazaanthracene (DAA) units is spread and compressed at the air/water interface and the layer then converted into a 1.5 nm thick covalent monolayer sheet by photoirradiation under ambient conditions. The sheet obtained under these extremely mild conditions is mechanically stable to carry its own wei…
A specimen sample of coral skeleton ( Pavona, Okinawa, Japan) was selected to study the mechanistic relationship between aragonite–calcite transformation and the thermal dehydration of the included water in biogenic aragonite. The sample exhibited three mass loss steps attributed to the thermal dehydration of the incl…
Abstract
The recycling possibilities of poly(butylene terephthalate)/polycarbonate/acrylonitrile–butadiene–styrene (PBT/PC/ABS) ternary blend with and without glass‐fiber content were investigated using repeated injection molding process. In this study, PBT/PC/ABS ternary blends were reprocessed at five times and the results w…
A novel two-step process consisting of plasma polymerization and oxidative plasma treatment is introduced in this article for the first time for the fabrication of -SO(x)(H)-functionalized surfaces. Plasma-polymerized thiophene (PPT) was initially deposited onto silicon wafers and subsequently SO(x)(H)-functionalized…
The dermis in the holothurian body wall is a typical catch connective tissue or mutable collagenous tissue that shows rapid changes in stiffness. Some chemical factors that change the stiffness of the tissue were found in previous studies, but the molecular mechanisms of the changes are not yet fully understood. Detec…
Lead-free ferroelectric un-doped and doped K0.5Na0.5NbO3 (KNN) films with different amounts of manganese (Mn) were prepared by a chemical solution deposition method. The thicknesses of all films are about 1.6 μm. Their phase, microstructure, leakage current behavior, and electrical properties were investigated. With i…