Materials Literature
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The syntheses and spectroscopic properties of eight new push-pull-type near-infrared fluorophores that contain either isobenzofuran or isothianaphthene subunits are presented. The isobenzofuran dyes demonstrate significantly red-shifted absorption compared with their isothianaphthene counterparts, which is attributed…
N-body simulations have demonstrated a correlation between the properties of haloes and their environment. In this paper, we assess whether the ellipsoidal collapse model can produce a similar dependence. First, we explore the statistical correlation that originates from Gaussian initial conditions. We derive analytic…
Dendrimers provide new and practical solutions to the complex problem of catalyst separation from the product stream. Dendrimers functionalized with active metal complexes are themselves soluble, nanosized catalysts that are capable of combining the high activity and selectivity of classical homogeneous catalysts with…
In this paper, we present a novel strategy for fabricating polyoxometalate (POM)-based photochromic silica hybrid films. To combine metal nanoparticles (NPs) into the POMs embedded silica matrix, furthermore, we realized the controllable in situ synthesis of metal NPs in the film by utilizing the reduction property of…
We study theoretically a localized state of an electron in a graphene quantum dot with a sharp boundary. Due to Klein's tunneling, the ``relativistic'' electron in graphene cannot be localized by any confinement potential. In this case the electronic states in a graphene quantum dot become resonances with finite trapp…
A novel method, electrospinning, was explored to prepare europium-doped YBO 3 nanocrystalline phosphors. Narrow and size-controllable YBO 3 nanotubes and nanowires were obtained, varying from 40 to 500 nm. The average wall thickness of the nanotubes was only 5−10 nm. The structural properties were characterized by X-r…
Interfacial polar molecules feature a strongly anisotropic response to applied electric field, favoring dipole orientations parallel to the interface. In water, in particular, this effect combines with generic orientational preferences induced by spatial asymmetry of water hydrogen bonding under confined geometry, whi…
The combined experimental and theoretical study of intrinsic hydrogen diffusion on bridge-bonded oxygen (BBO) rows of TiO 2(110) is presented. Sequences of isothermal scanning tunneling microscopy images demonstrate a complex behavior of hydrogen formed by water dissociation on BBO vacancies. Different diffusion rates…
We report the synthesis and the photochromic behavior of a newly designed, photochromic, radical diffusion-inhibited hexaarylbiimidazole (HABI) derivative with markedly improved photochromic performance in coloration and decoloration rates as well as greater optical density in the colored state. The thermal bleaching…
We discuss four important aspects of 1.5 MeV Au2+ ion-induced flux dependent sputtering from gold nanostrcutures (of an average size 7.6 nm and height 6.9 nm) that are deposited on silicon substrates: (a) Au sputtering yield at the ion flux of 6.3x10^12 ions cm-2 s-1 is found to be 312 atoms/ion which is about five ti…
We performed inelastic neutron scattering experiment to study magnetic excitation of O$_2$ molecules adsorbed in microporous compound. The dispersionless excitation with characteristic intensity modulation is observed at $\hbar ω= 7.8$ meV at low temperature. The neutron cross section is explained by spin dimer model…
A principle of enhancement CO adsorption was developed theoretically by using density functional theory through doping Al into graphene. The results show that the Al doped graphene has strong chemisorption of CO molecule by forming Al-CO bond, where CO onto intrinsic graphene remains weak physisorption. Furthermore, t…
The relaxation rate and temperature-dependent switching field curve of a spherical magnetic nanocluster are calculated by taking into account the effect of surface anisotropy via an effective anisotropy model. In particular, it is shown that surface anisotropy may change the thermally activated magnetization reversal…
Optically active defects in diamonds are promising candidates for the building blocks of quantum computers
Studies of the average crystal structure properties of human dental apatite as a function of the tooth-age in the range of 5-87 years are reported. The crystallinity of the dental hydroxyapatite decreases with the tooth-age. The a-lattice constant that is associated with the carbonate content in carbonate apatite decr…
In the present work, a relation has been established between degree of polarization and effective mass ratio (EMR) and magnetoresistance (MR) of one-dimensional non-degenerate system (which can represent a nano-wire or a linear chain of atoms and molecules in one dimension) by using a non-degenerate Hubbard model, whi…
The Bloch wavefunction leads either to mathematically impossible consequences or suggests that the ground state energy is a function of size and shape when the geometry of large crystals is considered in detail. It is incompatible with the assumption underlying the Born-von Karman periodic boundary condition. The sour…
In the context of photoelectron spectroscopy, the $GW$ approach has developed into the method of choice for computing excitation spectra of weakly correlated bulk systems and their surfaces. To employ the established computational schemes that have been developed for three-dimensional crystals, two-dimensional systems…
We report density functional theory calculations for the parent compound LaFeAsO of the recently discovered 26 K Fe-based superconductor ${\text{LaFeAsO}}_{1\ensuremath{-}x}{\text{F}}_{x}$. We find that the ground state is an ordered antiferromagnet, with staggered moment of about $2.3\text{ }{\ensuremath{\mu}}_{B}$,…
A new model is proposed for ferromagnetism associated with defects in the bulk or at the surface of nanoparticles. The basic idea is that a narrow, structured local density of states Ns(E) is associated with the defects, but the Fermi level (which may lie above or below a mobility edge) will not normally coincide with…