Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter Facebook Reddit LinkedIn Tools Icon Tools Reprints and Permissions Cite Icon Cite Search Site Citation Delphine Bouilly, Janie Cabana, Richard Martel; Unaltered electrical conductance in single-walled…
The structural optimization was performed based on generalized gradient approximation (GGA) followed by the calculation of electronic structure and magnetic properties on Co 2 MnGe and Co 2 MnSn. The calculation of electronic structure was based on local spin density approximation (LSDA) within full potential linear a…
Shouwen Jina* & Daqi Wangb a Tianmu College, ZheJiang A & F University , Lin'An 311300 , P.R. China b Department of Chemistry , Liaocheng University , Liaocheng 252059 , P.R. China * E-mail: shouwenjin@yahoo.cn Four organic–inorganic crystals, [(HL1)2(ZnCl4)]·H2O (1) (L1 = 2-methylquinoline), [(HL1)2(CuCl4)] (2), [(HL…
Molecular surfaces at atomic and subatomic scales are inherently ill-defined. In many computational chemistry problems, boundaries are better represented as volumetric regions than as discrete surfaces. Molecular structure of a system at equilibrium is given by the self-consistent field, commonly interpreted as a scal…
Two new mesogenic homologous series of Schiff base esters, 2-[4-(4′-n-Alkoxy benzoyloxy) benzylidenamino] 3-cyno thiophine (Series-A) and Schiff base cinnamates, 2-[4-(4′-n-alkoxy cinnamoyloxy) benzylidenamino] 3-cyano thiophene (Series-B), comprising a thiophene moiety were synthesized. Structural elucidation was car…
A new series of liquid crystals involving cholesterol based mesogenic units and Schiff base moiety interlinked through ester linkage were designed and synthesized. The target compounds were obtained by the reaction of 4′-(3-cholesteryl oxy carbonyl)benzaldehyde with different substituted aromatic and heterocyclic amin…
The crystal structures, formation energies, electronic structures and optical properties of Al- and Ca-doped β-Si3N4 were studied using first principles calculations based on density functional theory within the generalised gradient approximation. Results show that the band gaps Eg of Al- and Ca-doped β-Si3N4 decrease…
Abstract In the present study, we demonstrate the development of novel electromagnetic interference shielding material from the composite of nanostructured polyaniline‐polyhydroxy iron‐clay and polycarbonate through solution blending process. Onset of percolation threshold has been manifested from the morphological st…
We determine the surface enhanced Raman (SER) capability of indium tin oxide nanorods (ITO NRs) whose physical, chemical, and optical properties are precisely and uniformly controlled during synthesis. We demonstrate that the Raman intensities observed from varying concentrations of the pure and mixed molecules of rho…
PURPOSE: To evaluate the diagnostic efficacy of macrocyclic paramagnetic gadolinium (Gd) chelates gadoterate (0.5 mmol/mL) and gadobutrol (1.0 mmol/mL) for the diagnosis of clinically significant abdominal/lower limb arterial diseases at 3.0T. MATERIALS AND METHODS: This study was conducted as a prospective, single-ce…
Monodisperse V${}_{2}$O${}_{3}$ nanocrystals with diameters of 10.4 $\ifmmode\pm\else\textpm\fi{}$ 1.8 nm have been synthesized by organic-phase synthesis. Systematic studies of their lattice parameters, electronic structure, and magnetism have shown the disappearance of the metal-insulator transition. The V${}_{2}$O$…
The strong coupling between planar arrays of gold and silver nanoparticles mediated by a near-field interaction is investigated both theoretically and experimentally to provide an in-depth study of symmetry breaking in complex nanoparticle structures. The asymmetric composition allows to probe for bright and dark eige…
In this paper, tobacco mosaic virus (TMV) coated protein (CP) was genetically modified by introducing a hexahistidine tag into it for a well-defined one-dimensional template, on which Au nanocrystals (NCs) were grown. The results showed that genetic modification could not only ameliorate the one-dimensional structure…
Two new homologous series consisting of central azo and ester linkage and methyl groups at the central as well as terminal benzene rings are synthesized and their mesomorphic properties are studied. Between these two series; Series I has lateral methyl group on terminal benzene ring where as series II has lateral meth…
This paper presents results and interpretation of a high-fidelity, multidisciplinary simulation of a cermet fuel element. The fluid, thermal, and structural equations are solved for a symmetric sub-region of a fast spectrum reactor core; detailed neutronic simulations provide heat deposition rates. Creep effects on st…
Abstract The thermal and light‐induced magnetic properties of a family of discrete magnetically switchable “nanoball” species (3 nm in diameter) is reported. The self‐assembly of these materials is accomplished by the use of the metallo building block, [Cu([Tp 4‐py ])(NCCH 3 )] ([Tp 4‐py ]=tris‐[3‐(4'‐pyridyl)pyrazol‐…
In this paper, the development of a multiscale model of collagen fibril is described using a hierarchical approach by combining molecular dynamics simulations and FEM. Steered molecular dynamics was used to investigate the mechanical response of collagen under various conditions that mimic the organization of collagen…
The Rare-Earth sesquioxides (RE 2 O 3 ) exhibit interesting physical and chemical properties. Some of these oxides have tremendous technological applications. At ambient conditions, the RE 2 O 3 systems exist in three polymorphic forms, namely: hexagonal A- type, monoclinic B- type, and cubic C- type. The structural s…
A single gold nano-cylinder presenting multipolar plasmon resonances to enhance two-photon fluorescence is investigated employing three dimensional finite-difference time-domain method. Cylinders of large dimension usually display dipolar and quadrupolar plasmonic resonances. We demonstrate that the dipolar resonance…
We investigate a technique for microparticle aggregation via optical fiber-excited localized surface plasmon resonance of gold nanorods, which were deposited on the designated surface of a tapered optical fiber (TOF). Through the enhanced photothermal effect, a microbubble forms on the TOF at an input optical power of…