Materials Literature
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We investigate, by means of first-principles calculations, structural and transport properties of junctions made of symmetric dithiolated molecules placed between Au electrodes. As the electrodes are pulled apart, we find that it becomes energetically favorable that Au atoms migrate to positions between the electrode…
Nematic liquid crystals possess three different phases: isotropic, uniaxial, and biaxial. The ground state of most nematics is either isotropic or uniaxial, depending on the external temperature. Nevertheless, biaxial domains have been frequently identified, especially close to defects or external surfaces. In this pa…
The crystallization of materials from a supersaturated solution is a fundamental chemical process. Although several very successful models that provide a qualitative understanding of the crystal growth process exist, in most cases the atomistic detail of crystal growth is not fully understood. In this work, molecular…
Abstract Summary: Functionalized MWNTs were incorporated into PU by solution mixing to improve the mechanical and thermal properties of composites. A homogeneous dispersion of MWNTs was successfully achieved in PU matrix as evidenced by scanning electron microscopy. It may be attributed to the hydrogen bonds existing…
Recent work on the dynamics of a crystal surface [T.Frisch and A.Verga, Phys. Rev. Lett. 96, 166104 (2006)] has focused the attention on the conserved Kuramoto-Sivashinsky (CKS) equation: \partial_t u = -\partial_{xx}(u+u_{xx}+u_x^2), which displays coarsening. For a quantitative and qualitative understanding of the d…
Isolation methods and applications of cellulose microfibrils are expanding rapidly due to environmental benefits and specific strength properties, especially in bio-composite science. In this research, we have success-fully developed and explored a novel bio-pretreatment for wood fibre that can substantially improve t…
Among the many materials that have been proposed to supplement and, in the long run, possibly succeed Si as a basis for nanoelectronics, carbon nanotubes (CNTs) have attracted the most attention. CNTs are quasi-one-dimensional materials with unique properties ideally suited for electronics. We briefly discuss the elec…
Presently, there is interest in making medical devices such as expandable stents and intravascular microactuators from shape memory polymer (SMP). One of the key challenges in realizing SMP medical devices is the implementation of a safe and effective method of thermally actuating various device geometries in vivo. A…
Symmetry considerations are used in presenting a model of the electronic structure and the associated dynamics of the nitrogen-vacancy center in diamond. The model accounts for the occurrence of optically induced spin polarization, for the change of emission level with spin polarization and for new experimental measur…
This Account describes a new paradigm for the relationship between the geometry of metallic nanostructures and their optical properties. While the interaction of light with metallic nanoparticles is determined by their collective electronic or plasmon response, a compelling analogy exists between plasmon resonances of…
The structure of anthraflavic acid (2,6-dihydroxyanthraquinone), C14H8O4, an isomer of the alizarin dye, adopts a planar conformation, with crystallographic mm symmetry. Its crystal packing, which can be described as superimposed sheets of molecules (like a graphite structure), is very different from that of alizar…
New liquid-crystalline biphenyl carboxylates with an achiral swallow-tail derived from 1,3-dialkoxy-2-propanol <TEX>$[(ROCH_2)_2CHOH$</TEX>] where R is methyl, ethyl, propyl, butyl, <TEX>$CH_2CF_3$</TEX>, and <TEX>$CH_2CF_2CF_3$</TEX> were prepared. These achiral liquid crystals having 1,3-dialkoxy-2-propyl moieties e…
Abstract The in situ formation of an emitter in monocrystalline silicon thin‐film solar cells by solid‐state diffusion of dopants from the growth substrate during epitaxy is demonstrated. This approach, that we denote autodiffusion, combines the epitaxy and the diffusion into one single process. Layer‐transfer with po…
Abstract In this paper we describe the size‐controlled synthesis ofa silver nanocomplex based on the reduction of silvernitrate (AgNO 3 ) by UV‐irradiated tungstosilicate acid [H 4 (SiW 12 O 40 ), TSA] solution. This method allows the synthesis of ellipsoidal particles with an average size that is tunable between 2.4…
Abstract Summary: Dendrons and dendrimers with cationic amino groups at their periphery were successfully synthesized up to the third and second generation, respectively. The results obtained by 1 H NMR spectroscopy and gel permeation chromatography analysis supported the formation of the targeted dendrons and dendrim…
Cobalt (cyclam) complex has been successfully immobilized onto SBA-15, and proven to be an active catalyst for the epoxidation of styrene with tert-butyl hydroperoxide as a terminal oxidant. The selectivity for styrene oxide was observed to be up to 66% with 40% styrene conversion after 12h reaction time. The reversib…
We report here, for the first time, the role of the molecular design on the liquid crystalline and solid-state photoluminescent properties of soluble and thermally stable liquid crystalline perylenebisimide derivatives. A new series of perylenebisimides were designed and developed for this purpose by adopting the stoi…
A molecular dynamics (MD) simulation study has been carried out to understand the stability of the triple helical collagen models. The calculations show that the presence of the aspartic acid residue in different positions leads to the local variation in the structure. Analyses of root-mean-square deviation (RMSD), ra…
Using in situ schlieren microscopy, we have studied the growth process of nickel sulfate hexahydrate crystals in a gradient magnetic field under conditions where convection is suppressed, to investigate whether the features that occur here are the same as those that occur during microgravity crystal growth. An expansi…
Abstract We report the synthesis and characterization of 10 novel polyamides containing the benzo‐18‐crown‐6 subunit and its dipodal counterpart, along with their properties, and a comparison with homologous polyamides bearing benzo‐12‐crown‐4, benzo‐15‐crown‐5, and the corresponding dipodal systems. The anomalous pol…