Materials Literature
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In this study, a novel method of graphite chemical exfoliation to create graphene oxide (GO) is reported. Here, new oxidants were examined: a mixture of perchloric and nitric acids and potassium chromate. Furthermore, an effect of oxidation time, temperature of oxidation, and ultrasonication on graphite exfoliation de…
This study investigates the formation energies, electronic structures, and optical properties of pure and Si-doped ZnO using density functional theory and the Hubbard U (DFT + Ud + Up) method. The difference in lattice constants between calculated results and experimental measurements is within 1%, and the calculated…
The dynamics of hot phonons in supported, suspended, and gated monolayer graphene was studied by using time-resolved anti-Stokes Raman spectroscopy. We found that the hot phonon relaxation is dominated by phonon-phonon interaction in graphene, and strongly affected by the interaction between graphene and the substrate…
Partial-discharge (PD) measurements in compliance with the standard IEC 60270 are based on the main quantity apparent charge. This term is deduced from a simple PD model comprising a capacitive network. However, from a physical point of view, a PD defect cannot be represented by a capacitance, as argued by Pedersen an…
Major ampullate (MA) dragline silk supports spider orb webs, combining strength and extensibility in the toughest biomaterial. MA silk evolved ~376 MYA and identifying how evolutionary changes in proteins influenced silk mechanics is crucial for biomimetics, but is hindered by high spinning plasticity. We use supercon…
The effect of water content on silica nanoparticles was examined by thermogravimetry analysis (TGA), broadband dielectric spectroscopy (from 10 –2 to 10 7 Hz), and differential scanning calorimetry for a wide temperature range (110–250 K). Silica nanoparticles were dried and rehydrated at different water levels to det…
We develop a full microscopic replica field theory of the dynamical transition in glasses. By studying the soft modes that appear at the dynamical temperature, we obtain an effective theory for the critical fluctuations. This analysis leads to several results: we give expressions for the mean field critical exponents,…
According to the bridged annulene model, macrocyclic aromaticity of a porphyrinoid species can be attributed to the annulene-like main macrocyclic conjugation pathway (MMCP). Macrocyclic aromaticity, however, is given theoretically as a sum of contributions from all macrocyclic circuits. We found that the aromaticity…
The reaction of 9,10-dibromo-9,10-dihydro-9,10-diboraanthracene (9,10-dibromo-DBA, 3) with two equivalents of 9-lithio-2,6- or 9-lithio-2,7-di-tert-butylanthracene gave the corresponding 9,10-dianthryl-DBAs featuring two (4) or four (5) inward-pointing tert-butyl groups. Compound 4 exists as two atropisomers, 4 and 4'…
The burning rate of the monopropellant nitromethane (NM) has been observed to increase by adding and dispersing small amounts of functionalized graphene sheets (FGSs) in liquid NM. Until now, no plausible mechanisms for FGSs acting as combustion catalysts have been presented. Here, we report ab initio molecular dynami…
Diatoms, the major contributors of the global biogenic silica cycle in modern oceans, account for about 40% of global marine primary productivity. They are an important component of the biological pump in the ocean, and their assemblage can be used as useful climate proxies; it is therefore critical to better understa…
A systematic study of electronic structure and band gap states is conducted to analyze the mono doping and charge compensated codoping of rutile TiO2 with Rh and Nb, using the DFT+U approach. Doping of rutile TiO2 with Rh atom induces hybridized O 2p and Rh 4d band gap states leading to a red shift of the optical abso…
In 1935, Pauling estimated the residual entropy of water ice with remarkable accuracy by considering the degeneracy of the ice rule {\it solely at the vertex level}. Indeed, his estimate works well for both the three-dimensional pyrochlore lattice and the two-dimensional six-vertex model, solved by Lieb in 1967. The c…
The vibrational and structural properties of a hydrogen-rich Group IVa hydride, Ge(CH$_3$)$_4$, are studied by combining Raman spectroscopy and synchrotron X-ray diffraction measurements at room temperature and at pressures up to 30.2 GPa. Both techniques allow the obtaining of complementary information on the high-pr…
Surface plasmon polaritons can substantially reduce the sizes of optical devices, since they can concentrate light to (sub)wavelength scales. However, (sub)wavelength-scale electro-optic plasmonic switches or modulators with high efficiency, low insertion loss, and high extinction ratios remain a challenge due to thei…
The adsorption of silica nanoparticles onto representative mineral surfaces and at the decane/water interface was studied. The effects of particle size (the mean diameters from 5 to 75 nm), concentration and surface type on the adsorption were studied in detail. Silica nanoparticles with four different surfaces [unmod…
A possible above-room-temperature molecular multiferroic, triethylmethylammonium tetrabromoferrate(III) (1), has been discovered. Its ferroelectric and magnetic phase transitions take place at almost the same temperature (∼360 K), resulting in strong magnetodielectric (MD) coupling, with a MD ratio of 18% at 0.6 MHz.…
We study reaction-diffusion processes with concentration-dependent diffusivity. First, we determine the decay of the concentration in the single-species and two-species diffusion-controlled annihilation processes. We then consider two natural inhomogeneous realizations. The two-species annihilation process is investig…
Intriguing properties of the misfit layered chalcogenide (LaS)$_{1.196}$VS$_2$ crystals were investigated by transport, optical measurements, angle-resolved photoemission (ARPES) and x-ray diffraction. Although no clear anomaly is found in transport properties as a function of temperature, a large spectral weight tran…
We report a method of fabricating self-aligned, top-gated graphene field-effect transistors (GFETs) employing polyethyleneimine spin-on-doped source/drain access regions, resulting in a 2X reduction of access resistance and a 2.5X improvement in device electrical characteristics, over undoped devices. The GFETs on Si/…