Materials Literature
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In a polymer analogous approach, large dendritic oligophenylenes containing benzene and tetraphenylmethane cores are transformed via oxidative cyclodehydrogenation to novel propeller-shaped molecules with large polycyclic aromatic hydrocarbon units as "blades". Structure analysis is performed by a combination of MALDI…
The interactions of single-walled carbon nanotubes (SWNTs) with ferritin protein in water were investigated. It was found that SWNTs are naturally protein-affinitive in an aqueous ferritin solution, resulting in significant ferritin−SWNT conjugation and the solubilization of the nanotubes. The conjugation is further e…
We predict a diblock copolymer melt in the lamellar phase with added spherical nanoparticles that have an affinity for one block to have a lower tensile modulus than a pure diblock copolymer system. This weakening is due to the swelling of the lamellar domain by nanoparticles and the displacement of polymer by elastic…
The determination of density profiles with knowing the phase information of complex reflection coefficient for neutron specularly reflected from a film, yields unique results. Recently it has been shown that the phase can be determined by using controlled variation of the scattering length density of the fronting (inc…
A reliable semi-empirical Hamiltonian for materials simulations must allow electron screening and charge redistribution effects. Using the framework of linear combination of atomic orbitals (LCAO), a self-consistent and environment-dependent (SCED) Hamiltonian has been constructed for quantum mechanics based simulatio…
We describe at the quantum-chemical level the main parameters that control charge transport at the molecular scale in discotic liquid crystals. The focus is on stacks made of triphenylene, hexaazatriphenylene, hexaazatrinaphthylene, and hexabenzocoronene molecules and derivatives thereof. It is found that a subtle int…
This communication describes the use of polyelectrolyte multilayer as a preformed matrix in electrochemical deposition to adjust the morphology of gold clusters, and only the surface covered with dendritic gold clusters shows a super-hydrophobic property, with the contact angle above 150 degrees and the tilt angle les…
ADVERTISEMENT RETURN TO ISSUEArticleNEXTWater Gelation by Small Organic MoleculesLara A. Estroff and Andrew D. HamiltonView Author Information Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107 Cite this: Chem. Rev. 2004, 104, 3, 1201–1218Publication Date (Web):February 21, 20…
Mössbauer spectroscopy of La 0.67 Ca 0.33 Mn 0.9 Fe 0.1 O 3 shows phase separation above and below the magnetic transition temperature T C . These phase separations are found to be independent and related to different phenomena. The relative volumes of the two phases above and below T C are also very different. Mössba…
The effect of hydride and hydrogen-induced martensite on the fracture toughness of a TiNi shape memory alloy has been investigated using a notched tensile specimen. The results show that the fracture toughness of the hydrogenated samples decreases linearly with increasing hydrogen concentration, and the relative fract…
Binary gratings were fabricated with high first-order diffraction efficiency by conventional electron-beam drawing and subsequent inductive coupled-plasma dry etching upon the surfaces of SiO2 glass plates. The gratings were covered with a thin SiO2 film by plasma-enhanced chemical-vapor deposition without the grooves…
We studied the surface wave and reflective properties of two types of metamaterials, one that combines a material with dispersive μ with a metal film, and another that possesses arbitrary ε and μ. Generic surface wave phase diagrams with respect to ε and μ are given. For the first type, we find that the simultaneous a…
We report a polarized fluorescence recovery after photobleaching (pFRAP) method to measure the rotational dynamics of fluorescent colloids over a wide dynamic range. The method is based on the polarization anisotropy in the fluorescence intensity, generated by bleaching of fluorescently labeled particles with an inten…
We have investigated atomistic processes of nucleation and crystallization in supercooled liquid silicon (Si) based on molecular-dynamics (MD) simulations using the Tersoff potential. MD cells composed of up to 8192 Si atoms were heated to produce melted Si, and then melted Si was quenched under various supercooled co…
A theoretical investigation of the properties of the Si3C4, Si4C3, and Si4C4 clusters is reported. Systematic explorations of the potential energy surfaces of the three clusters are performed using a combination of ab initio molecular dynamics and local energy minimizations using density functional theory. A large num…
First-principles-based kinetic Monte Carlo simulation was used to track the elementary surface transformations involved in the catalytic decomposition of NO over Pt(100) and Rh(100) surfaces under lean-burn operating conditions. Density functional theory (DFT) calculations were carried out to establish the structure a…
The polarized optical reflectance spectra of the quasi-two-dimensional organic correlated electron system $\ensuremath{\kappa}\ensuremath{-}(\mathrm{BEDT}\ensuremath{-}\mathrm{TTF}{)}_{2}\mathrm{Cu}[\mathrm{N}(\mathrm{CN}{)}_{2}]Y,$ $Y=\mathrm{Br}$ and Cl are measured in the infrared region. The former shows the super…
A uniform array of a new type of heterojunction formed between carbon nanotubes and silicon is studied. The heterojunction array was controllably grown with parallel and uniform nanotubes vertically aligned to the silicon substrate using a self-organized nanopore array template. The pronounced rectifying characteristi…
To clarify different phase formations of diamond nanocrystals upon pulsed-laser-induced liquid-solid interfacial reaction (PLIIR), we preformed the first-principles investigation of the total energy of cubic and hexagonal diamond. Interestingly, by a comparison of the structure stabilities of cubic and hexagonal diamo…
In this paper we study the magnetocaloric effect in the Laves phase pseudobinary $\mathrm{Er}({\mathrm{Co}}_{1\ensuremath{-}c}{\mathrm{Ni}}_{c}{)}_{2}.$ We use a theoretical model, considering both the localized spins of rare-earth ions and the itinerant electrons of the transition elements. The two-body interactions…