Materials Literature
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BACKGROUND: Titanium dioxide (TiO2) nanoparticles and fullerene (C60) are two attractive manufactured nanoparticles with great promise in industrial and medical applications. However, little is known about the genotoxic response of TiO2 nanoparticles and C60 in mammalian cells. In the present study, we determined the…
We report an experimental refinement of the local charge density at the Si (111) 7x7 surface utilizing a combination of x-ray and high energy electron diffraction. By perturbing about a bond-centered pseudoatom model, we find experimentally that the adatoms are in an anti-bonding state with the atoms directly below. W…
We propose an analytic response theory for the density matrix renormalization group whereby response properties correspond to analytic derivatives of density matrix renormalization group observables with respect to the applied perturbations. Both static and frequency-dependent response theories are formulated and impl…
We deposit droplets of nanorods dispersed in solvents on substrate surfaces and let the solvent evaporate. We find that strong contact line pinning leads to dense nanorod deposition inside coffee stain fringes, where we observe large-scale lateral ordering of the nanorods with the long axis of the rods oriented parall…
As the variation of temperature alters the intrinsic carrier density in a semiconductor, numerical simulations indicate that the consequent variation of the relative permittivity in the terahertz regime provides a way to realize thermally tunable split-ring resonators. Electromagnetic metasurfaces and metamaterials th…
Tetragonal Eu 3+:BaFCl nanocrystals were synthesized via mild-temperature solvothermal treatment. The size of the as-grown nanoflakes was estimated to be 100−200 nm in diameter and 20−40 nm in thickness by XRD, SEM, and TEM. By means of site-selective spectroscopy at 10 K, two kinds of luminescence sites of Eu 3+ were…
Genetic algorithms (GAs) are a tool used to solve high-complexity computational problems. Apart from modelling the phenomena occurring in Nature, they help in optimization, simulation, modelling, design and prediction purposes in science, medicine, technology, and everyday life. They can be adapted to the given task,…
Made to order: Aqueous dispersions of polymer-encapsulated liquid crystal (LC) droplets were synthesized with precise interfacial chemistry and sizes in the micrometer-to-sub-micrometer range. Size-dependent changes in LC ordering could be observed. Study of the competition between size and interfacial chemistry on LC…
Vanadium sesquioxide, V(2)O(3), boasts a rich phase diagram whose description necessitates accounting for many-body Coulomb correlations. The spectral properties of this compound have been successfully addressed within dynamical mean field theory to the extent that results of recent angle-resolved photoemission experi…
Based on first-principles calculations, we study the origin of the large thermopower in Ni-doped LaRhO(3) and Mg-doped CuRhO(2). We calculate the band structure and construct the maximally localized Wannier functions from which a tight binding Hamiltonian is obtained. The Seebeck coefficient is calculated within the B…
Massless Dirac particles cannot be confined by an electrostatic potential. This is a problem for making graphene quantum dots but confinement can be achieved with a magnetic field and here general conditions for confined and deconfined states are derived. There is a class of potentials for which the character of the s…
The electronic spectra for double-wall zigzag and armchair nanotubes are found. The influence of nanotube curvatures on the electronic spectra is also calculated. Our finding that the outer shell is hole doped by the inner shell is in the difference between Fermi levels of individual shells which originate from the di…
The importance of glass formation and the glass transition is linked to their universality, embracing many classes of materials: metallic, inorganic, and organic. There is no agreement on what drives this phenomenon; moreover, experiments are challenging due to the nonequilibrium nature of the glassy state. We present…
Wheels of steel: Two enantiomerically pure chiral {Fe(28)} wheel-like aggregates have been synthesized from the acetate buffer solution containing ferric ions and chiral tartrate ligands (see picture). These compounds are the largest chiral ferric aggregates isolated to date.
Using anionic surfactant as templates, ordered mesoporous silica hollow spheres (MSHSs) with radially oriented mesochannels were synthesized with the aid of ultrasonic irradiation. The product was consisted of intact and dispersed hollow spheres with the diameter mostly in the range of 100−500 nm. The hollow spheres p…
β-NaYF 4 hexagonal microprisms and microrods with different aspect ratios have been prepared via a simple hydrothermal route. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and photoluminescence (PL) spectra as well as kinetic decays were used to characterize the s…
We extend Mulliken's theory of ground state charge transfer in a donor-acceptor complex to excited state charge transfer between pairs of identical $π$-conjugated oligomers, one of which is in the optically excited state and the other in the ground state, leading to the formation of a charge-transfer exciton. Within o…
We report on a quantum description of the domain wall (DW) motion under a spin current. A bound magnon, which is the zero mode of DW, is found to play a dominant role in DW dynamics. The bound magnon acquires its inertia by the hard axis anisotropy and is a free particle even under the spin current. The full transfer…
The authors proposed and computationally analyzed nonvolatile static random access memory (NV-SRAM) architecture using metal-oxide-semiconductor field-effect transistor (MOSFET) type of spin-transistors referred to as pseudo-spin-MOSFET (PS-MOSFET). PS-MOSFET is a new circuit approach to reproduce the functions of spi…
Propelling magnetism: Supramolecular organization leads to a remarkable dodecanuclear {Cu(3)Dy(3)}(2) cluster with a "double-propeller" shape (see picture). The linkages of the CuDy units, both intramolecular and supramolecular, appear to be responsible for a drastic change in the single molecule magnetic behavior.