Materials Literature
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We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a first principles density functional theory based electronic structure method and a local density approximation. We consider the dielectric oxides SiO(2) (α-quartz) and Al(2)O(3) (…
The relaxation of a spatially sinusoidal temperature perturbation in a dielectric crystal at a temperature comparable to or higher than the Debye temperature is investigated theoretically. We assume that most phonons contributing to the specific heat have a mean free path (MFP) much shorter than the thermal transport…
In this contribution we present the results of Density-Functional Theory (DFT) calculations of platelets as modelled by infinite planar arrangements of hydrogen atoms and vacancies in (100) planes of silicon. From the observation of the relaxed platelet structures and the comparison of their energy with the one of hyd…
In this paper we present kinetic properties such as migration and decomposition barriers of hydrogen defects in silicon calculated by Density Functional Theory (DFT) based methods. We study the following defects: H atoms (H) and ions (H+, H-), hydrogen molecules (H2) and hydrogen complexes (H2*). Our results show that…
We report magnetization measurements, full-potential band structure calculations, and microscopic modeling for the spin-1/2 Heisenberg magnets A2CuP2O7 (A = Na, Li). Based on a quantitative evaluation of the leading exchange integrals and the subsequent quantum Monte-Carlo simulations, we propose a quasi-one-dimension…
In this Letter, we investigate the strain-induced band-gap modulation of both armchair and zigzag graphane nanoribbons based on the first-principles calculations. Within the elastic range, the band gap changes linearly with the uniaxial strain, where the band-gap of graphane nanoribbonsis more sensitive to compressive…
Effects of large copper deficiency and surface modification on the photoluminescence of CuInS2 nanocrystals were explored. The large copper deficiency improved PL intensity due to the enhanced internal defect-related emission. Surface modification of copper deficient nanocrystals by simply refluxing with zinc acetate…
We study the glass transition in confined polymer films and present the first experimental evidence indicating that two separate mechanisms can act simultaneously on the film to propagate enhanced mobility from the free surface into the material. Using transmission ellipsometry, we have measured the thermal expansion…
The structural and vibrational properties of bismuth selenide (Bi${}_{2}$Se${}_{3}$) have been studied by means of x-ray diffraction and Raman scattering measurements up to 20 and 30 GPa, respectively. The measurements have been complemented with ab initio total-energy and lattice dynamics calculations. Our experiment…
Fmoc-diphenylalanine (FmocFF or FmocPhePhe) is an important low molecular weight hydrogelator. Gelation can be induced by either lowering the pH of an aqueous solution of FmocFF or by the addition of water to a solution of FmocFF in a solvent such as DMSO. Despite the volume of literature on FmocFF, the mechanical pro…
Luminescent colloidal quantum dots (QDs) possess numerous advantages as fluorophores in biological applications. However, a principal challenge is how to retain the desirable optical properties of quantum dots in aqueous media while maintaining biocompatibility. Because QD photophysical properties are directly related…
A highly homogeneous ZnO/Ag nanohybrid has been synthesized by a novel route, employing chitosan as mediator by purely electrostatic interaction. By employing various techniques such as powder XRD, UV-visible, IR spectroscopy and electron (SEM, TEM) microscopy, the formation of the nanohybrid has been established. The…
This study proposes an ultrathin chiral metamaterial slab stacked with twisted complementary split-ring resonators (CSRRs) for highly efficient broadband polarization transformation. The polarization of linearly polarized electromagnetic waves can be rotated in a specific direction by passing it through such a slab ha…
We study the carrier dynamics in epitaxially grown graphene in the range of photon energies from 10 to 250 meV. The experiments complemented by microscopic modeling reveal that the carrier relaxation is significantly slowed down as the photon energy is tuned to values below the optical-phonon frequency; however, owing…
Understanding size-dependent processes, including dissolution, of engineered nanoparticles is essential in addressing the potential environmental and health impacts of these materials as well as their long-term stability. In this study, experimental measurements of size-dependent dissolution of well-characterized zinc…
We present an ab-initio study of electron mobility and electron-phonon coupling in chemically modified graphene, considering fluorinated and hydrogenated graphene at different percentage coverage. Hexagonal boron carbon nitrogen is also investigated due the increased interest shown by the research community towards th…
Graphene (GN) has received intense interest in fields such as physics, chemistry, biology and materials science due to its exceptional electrical, mechanical, thermal and optical properties as well as its unique two-dimensional (2D) structure and large surface area. Recently, GN–inorganic nanocomposites have been open…
In this work, unmodified carbon nanodots are demonstrated as novel and environmentally-friendly fluorescence probes for the sensing of Hg(2+) and biothiols with high sensitivity and selectivity.
Abstract To improve dispersibility of silica nanoparticle in organic solvents, the grafting of poly( L ‐lactide) (PLLA) onto silica nanoparticle surface by ring‐opening polymerization of L‐lactide (LA) was investigated in the presence of an amidine base catalyst. The ring‐opening polymerization of LA successfully init…
In this paper, hybrid film of mesoporous silica film with oriented mesochannels and semiconductor quantum dot has been prepared. Encapsulation of CdS and PbS within the oriented mesochannels leads to a regular arrangement at the macro scale. The hybrid film thus obtained showed remarkable anisotropic photoelectronic p…