Materials Literature
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First-principles molecular dynamics simulations are carried out to study the structures, dynamics, and electronic properties of liquid Al88Si12 in the temperature ranging from 898 to 1298 K. The temperature dependence of static structure factors, pair correlation functions, and electronic density-of-states are investi…
We report two distinct types of two-dimensionally periodic phases in different concentration regions of a binary system composed of the bent-core (BC) compound $1,3\text{-phenylene bis}[4\text{\ensuremath{-}}(3\text{\ensuremath{-}}\text{methylbenzoyloxy})]{4}^{\ensuremath{'}}\text{\ensuremath{-}}n\text{-dodecylbipheny…
We describe a novel approach to synthesize two-dimensional nanocrystalline TiS2 islands on Au111. Ti is deposited by physical vapor deposition at room temperature on AuS-covered Au111 surfaces. Subsequent annealing to temperatures between 670 K and 800 K leads to the formation of single-layer, triangular TiS2 islands.…
The adsorption of nitrous oxide, N2O, on a Rh110 surface has been characterized by using density-functional theory. N2O was found to bind to the surface in two alternative forms. The first, less stable form is tilted with the terminal N atom attached to the surface, while the second, more stable form lies horizontally…
Interior decorating: Polymerization of styrene sulfonate monomers on the inner surface of polyelectrolyte hollow capsules results in polymers having molecular weights an order of magnitude higher than those produced in solution. The shape of the capsules after polymerization can be manipulated by varying the styrene s…
A systematic study of oxygen adsorption, decomposition and diffusion on Rh111 and its dependence on coadsorbed oxygen molecules has been performed using density functional theory calculations. First, the bonding strength between metal surface and adsorbed oxygen molecules has been studied as a function of initial oxyg…
Abstract The process by which polymeric materials hydrolyze and disappear into their environments is often called erosion . Two types of erosion have been defined according to how the hydrolysis takes place. If hydrolysis occurs throughout the entire specimen at the same time, it is called bulk erosion . If the hydrol…
A new type of supramolecular polymer was prepared by ionic self-assembly (ISA) from two oppositely charged dyes; a perylenediimide and a copper-phthalocyanine derivative. Coulomb coupling stabilizes the whole structure, and a combination of charge-transfer interactions and discotic stacking facilitates the exclusive f…
A type of multiferroic polymer-based composite is presented which exhibits a giant magnetoelectric sensitivity. Such a multiferroic composite prepared via a simple low-temperature hot-molding technique for common polymer-based composites has a laminate structure with one lead-zirconate-titanate (PZT)/polyvinylidene-fl…
Confocal Raman spectral imaging results are presented for a metal-to-semiconductor intramolecular junction (IMJ) on an isolated carbon nanotube. Spectra observed at the junction are consistent with the symmetry lowering expected from the occurrence of pentagon-heptagon defects to produce the chirality shift. The IMJ t…
Adenylate kinases (AKs) play important roles in nucleotide metabolism in all organisms and in cellular energetics by means of phosphotransfer networks in eukaryotes. The crystal structure of a human AK named AK6 was determined by in-house sulfur single-wavelength anomalous dispersion phasing methods and refined to 2.0…
Carbon nanotube (CNT)-polymer composites, with potential applications in structural materials, optoelectronics, sensors, biocatalysis, and thermal and electromagnetic shielding are an important emerging area of nanotechnology. However, progress has been slow due to difficulties in dispersing CNTs into the polymer matr…
We have measured carrier mobility of regioregular poly(3-hexylthiophene) films by both field-effect and electrochemical doping on identical devices, which allowed us a direct comparison between the two doping processes. The carrier mobility of electrochemical doping at low doping levels was lower than that of field-ef…
The macroscopic properties of a surface can be intelligently controlled by alternating the states of the modified molecules, such as polymers, metallic oxide, or self-assembled monolayers (SAMs). This article reviews various approaches to create a switchable surface and different types of external stimuli used to swit…
The damage and fracture of materials are technologically of enormous interest due to their economic and human cost. They cover a wide range of phenomena like e.g. cracking of glass, aging of concrete, the failure of fiber networks in the formation of paper and the breaking of a metal bar subject to an external load. F…
We deposited epitaxial thin films of Morphotropic Phase Boundary (MPB) Pb0.65Ba0.35Nb2O6 (PBN:65) on MgO substrates using pulsed laser deposition. Afterwards, a novel transmission optical experiment was developed to measure the electric field-induced bending angle of the thin film sample using a divergent incident lig…
Martensites are materials that undergo diffusionless, solid-state transitions. The martensitic transition yields properties that depend on the history of the material and may allow it to recover its previous shape after plastic deformation. This is known as the shape-memory effect (SME). We have succeeded in identifyi…
Wetting phenomena plays an interesting role in the technological development of materials. Recently, much attention has been directed to the study of magnetic solid films. To understand, theoretically, the effect of surface on wetting and layering transitions in these systems, we will give in this chapter a presentati…
We report on the behavior of micron-sized prolate ellipsoids trapped at an oil-water interface. The particles experience strong, anisotropic, and long-ranged attractive capillary interactions which greatly exceed the thermal energy k(B)T. Depending on surface chemistry, the particles aggregate into open structures or…
Carrier mobility is one of the most important parameters to characterize dielectrics. The mobility, however, may have a hysteresis when subjected to a high field. Indeed it is reported that a polymeric film specimen that has been subjected to a high field is more conductive than the virgin specimen, suggesting the ris…