Materials Literature
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The aggregation of liquid crystal nanodroplets from a homogeneous solution is studied by molecular dynamics simulations. The liquid crystal particles are modeled as elongated ellipsoidal Gay-Berne particles while the solvent is modeled as spherical Lennard-Jones particles. Extending previous studies of Berardi et al.…
In transformation optics, the space transformation is viewed as the deformation of a material. The permittivity and permeability tensors in the transformed space are found to correlate with the deformation field of the material. By solving the Laplace's equation, which describes how the material will deform during a t…
Abstract Enzymes with artificial cofactors : Nondiffusible organic cofactors of enzymes can often be replaced by artifical analogues to generate semisynthetic enzymes (see scheme). This approach can be used to study structure–function relationships in enzymology and to produce novel enzymes with enhanced or even entir…
We show, with the help of polarized neutrons, that the cubic magnets Fe1-xCoxSi with Dzyaloshinskii-Moriya interaction can be switched between left (for x=0.1, 0.15) and right (for x=0.2, 0.25, 0.3, 0.5) chiral states of the spin helix. The absolute structure was evaluated using x-ray diffraction. The crystals are sho…
We demonstrate a bilayer photovoltaic device consisting of a heterojunction between colloidal cadmium selenide (CdSe) quantum dots (QDs) and a wide band gap organic hole-transporting thin film of N,N'-diphenyl-N,N'-bis(3-methylphenyl)[1,1'-biphenyl]-4,4'-diamine (TPD) molecules. The active light-absorbing film of QDs…
We report on anisotropic dc magnetic susceptibility $\ensuremath{\chi}(T)$, electrical resistivity $\ensuremath{\rho}(T)$, and heat-capacity $C(T)$ measurements on the single crystals of ${\text{CaFe}}_{2\ensuremath{-}x}{\text{Co}}_{x}{\text{As}}_{2}$ for $x=0$ and 0.06. Large-sized single crystals were grown by the h…
A comprehensive generalized gradient approximation $(\text{GGA})+U$ calculation study of many various ${\text{Co}}^{3+}$ spin configurations for the model structures of ${\text{LaCoO}}_{3}$ was performed. In addition to the nonmagnetic ground state based on the low-spin (LS) ${\text{Co}}^{3+}$, the calculations eviden…
The reaction of [Mn(12)(CH(3)COO)(16)(H(2)O)(4)O(12)].2CH(3)COOH.4H(2)O, Na(8)[HPW(9)O(34)].24H(2)O, K(2)HPO(4), and ethylenediamine hydrochloride in an aqueous solution leads to the isolation of a new polyoxometalate-based mixed-valent manganese aggregate, K(14)Na(17)[(Mn(III)(13)Mn(II)O(12)(PO(4))(4)(PW(9)O(34))(4)]…
We report a method for site-specific fabrication of Fe catalyst particles on silica (SiO(2)) substrate by electron beam induced decompositionat 650 (EBID) of iron nonacarbonyl. The unobstructed, atomic level in situ observations of the catalyst particles, recorded degrees C in 8-15 mTorr of acetylene, reveal the struc…
We analyze the basic structural units of simple reconstructions of the (111) surface of SrTiO3 using density functional calculations. The prime focus is to answer three questions: what is the most appropriate functional to use; how accurate are the energies; what are the dominant low-energy structures and where do the…
We investigate the dynamical response of a mass defect in a one-dimensional non-loaded horizontal chain of identical spheres which interact via the nonlinear Hertz potential. Our experiments show that the interaction of a solitary wave with a light intruder excites localized mode. In agreement with dimensional analysi…
Abstract This book deals with the structural crystallography of inorganic oxysalts in general. A special emphasis is placed upon structural topology and the methods of its description. The latter include graph theory, nets, 2-D and 3-D tilings, polyhedra, etc. The structures considered range from minerals to organical…
With the increasing occurrence of vascular diseases and poor long-term patency rates of current small diameter vascular grafts, it becomes urgent to pursuit biomaterial as scaffold to mimic blood vessel morphologically and mechanically. In this study, novel human-like collagen (HLC, produced by recombinant E. coli)/ch…
We report observation of reverse Doppler effect in a double negative acoustic metamaterial. The metamaterial exhibited negative phase velocity and positive group velocity. The dispersion relation is such that the wavelength corresponding to higher frequency is longer. We observed that the frequency was down-shifted fo…
The free energies of the austenite, the (modulated) premartensite and the unmodulated martensite of ${\mathrm{Ni}}_{2}\mathrm{MnGa}$ are determined using density functional theory and including quasiharmonic phonons and fixed-spin-moment magnons. This approach very well reproduces the complete phase sequence ($\mathrm…
ADVERTISEMENT RETURN TO ISSUEPREVAddition/CorrectionORIGINAL ARTICLEThis notice is a correctionUniaxial Strain on Graphene: Raman Spectroscopy Study and Band-Gap OpeningZhen Hua Ni, Ting Yu, Yun Hao Lu, Ying Ying Wang, Yuan Ping Feng, and Ze Xiang Shen*Cite this: ACS Nano 2009, 3, 2, 483Publication Date (Web):January…
Tunneling field-effect transistors (FETs) have been intensely explored recently due to its potential to address power concerns in nanoelectronics. The recently discovered graphene nanoribbon (GNR) is ideal for tunneling FETs due to its symmetric bandstructure, light effective mass, and monolayer-thin body. In this wor…
It is shown that nanotubes with thicker walls can be grown from strongly bonded multi-layered structures only in accord with some basic crystallographic principles. Either the diameters of such tubes remain large in comparison with the thicknesses of their walls, or new bulk structures are formed.
Disordered assemblies with maximum packing fraction are studied by discrete element numerical simulation for monodisperse or bidisperse spherical particles, the diameter ratio being set at three. A maximum packing fraction value corresponds to an equilibrium state under isotropic loading of rigid frictionless particle…
Epitaxially strained ${\text{LaCoO}}_{3}$ (LCO) thin films were grown with different film thickness, $t$, on (001) oriented ${({\text{LaAlO}}_{3})}_{0.3}{({\text{SrAl}}_{0.5}{\text{Ta}}_{0.5}{\text{O}}_{3})}_{0.7}$ substrates. After initial pseudomorphic growth the films start to relieve their strain partly by the for…