Materials Literature
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The eigenmodes and the vibrational density of states of the ground state configuration of graphene clusters are calculated using atomistic simulations. The modified Brenner potential is used to describe the carbon-carbon interaction and carbon-hydrogen interaction in case of H-passivated edges. For a given configurati…
We investigate optically detected magnetic resonance signals from an ensemble of nitrogen-vacancy centers in diamond. The signals are measured for different light powers and microwave powers, and the contrast and linewidth of the magnetic-resonance signals are extracted. For a wide range of experimental settings of th…
The magnetic characterization technique of hysteretic materials based on the measurement of the first-order reversal curves (FORC) is one of the most appealing methods recently introduced in hundreds of new laboratories, but due to the complexity of the FORC data analysis, it is not always properly used. This method o…
We demonstrate that the resonances of infrared plasmonic antennas can be tuned or switched on/off by taking advantage of the thermally driven insulator-to-metal phase transition in vanadium dioxide (VO(2)). Y-shaped antennas were fabricated on a 180 nm film of VO(2) deposited on a sapphire substrate, and their resonan…
When is an acene stable? The pronounced multiradical character of graphene nanoribbons of different size and shape was investigated with high-level multireference methods. Quantitative information based on the number of effectively unpaired electrons leads to specific estimates of the chemical stability of graphene na…
The electrical behavior of a conducting-polymer/inorganic-nanowire composite is explained with a model in which carrier transport occurs predominantly through a highly conductive volume of polymer that exists at the polymer-nanowire interface. This result highlights the importance of controlling nanoscale interfaces f…
X-ray structural analysis and high-temperature thermoelectric properties measurements are performed on polycrystalline samples of artificial mineral Cu12−xNixSb4S13 tetrahedrite. Analysis of the atomic displacement parameter manifests low-energy vibration of Cu(2) out of CuS3 triangle plane. The vibration results in l…
Boron synthesis, in theory: Although two-dimensional boron sheets have attracted considerable interest because of their theoretically predicted properties, synthesis of such sheets remains a challenge. The feasibility of different synthetic methods for two-dimensional boron sheets (see picture; red) was assessed using…
Long-term noninvasive cell tracing by fluorescent probes is of great importance to life science and biomedical engineering. For example, understanding genesis, development, invasion and metastasis of cancerous cells and monitoring tissue regeneration after stem cell transplantation require continual tracing of the bio…
Persistent luminescence or afterglow is caused by a gradual release of charge carriers from trapping centers. The energy needed to release these charge carriers is determined by the trap depths. Knowledge of these trap depths is therefore crucial in the understanding of the persistent luminescence mechanism. Unfortuna…
We fabricate MoS2 field effect transistors on both SiO2 and polymethyl methacrylate (PMMA) dielectrics and measure charge carrier mobility in a four-probe configuration. For multilayer MoS2 on SiO2, the mobility is 30–60 cm2/Vs, relatively independent of thickness (15–90 nm), and most devices exhibit unipolar n-type b…
The wurtzite-derived Cu₂ZnSn(S(1-x)Se(x))₄ alloys are studied for the first time through combining theoretical calculations and experimental characterizations. Ab initio calculations predict that wurtzite-derived Cu₂ZnSnS₄ and Cu₂ZnSnSe₄ are highly miscible, and the band gaps of the mixed-anion alloys can be linearly…
PLGA nanoparticles are among the most studied polymer nanoformulations for several drugs against different kinds of malignant diseases, thanks to their in vivo stability and tumor localization exploiting the well-documented "enhanced permeation and retention" (EPR) effect. In this paper, we have developed uniform curc…
A room-temperature highly-sensitive SO2 sensor with fast response and complete recovery is constructed based on gas dielectric field-effect transistor (FET) of CuPc single crystalline nanowire. The exposed conductive channel by gas dielectric is responsible for the high sensitivity to SO2 and the adsorption of the SO2…
Constant CO(x)-free H2 production from the catalytic decomposition of ammonia could be achieved over a high-surface-area molybdenum carbide catalyst prepared by a temperature-programmed reduction-carburization method. The fresh and used catalyst was characterized by N2 adsorption/desorption, powder X-ray diffraction,…
Structure-based virtual screening relies on scoring the predicted binding modes of compounds docked into the target. Because the accuracy of this scoring relies on the accuracy of the docking, methods that increase docking accuracy are valuable. Here, we present a relatively straightforward method for improving the pr…
The chemical structure and electronic properties of two-dimensional (2D) carbon-supported TiO₂, TiO₂-graphdiyne, and TiO₂-graphene composites have been studied by first-principles density functional theory. Calculation results show that TiO₂(001)-graphdiyne composites possess superior charge separation and oxidation p…
The article discusses oxidation catalysis by substitutional cation doping of binary oxides. Substitutional cation doping is not the only possibility. One can imagine that replacing some anions with other anions may also be beneficial. There is evidence that the presence of small amounts of halogen in the feed or on th…
The repressor protein PhaR, which is a component of poly[(R)-3-hydroxybutyrate] granules, functions as a repressor of the gene expression of the phasin PhaP and of PhaR itself. We used a quartz crystal microbalance to investigate the binding behavior by which PhaR in Ralstonia eutropha H16 targets DNAs and amorphous p…
A new Bi(3)Ge(3)O(10.5) compound has been synthesized under high pressure, P = 7 GPa, and 700 °C. Instead of the pyrochlore that is normally stabilized under high pressure, the Bi(3)Ge(3)O(10.5) crystallizes in a KSbO(3)-ype crystal structure. The crystal structure has been refined by the Rietveld method from synchrot…