Materials Literature
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Novel and extended ZnO/Zn 5 (OH) 8 Ac 2 ·2H 2 O architectures are desirable for many applications. Here we report on the design and growth of the novel ZnO/Zn 5 (OH) 8 Ac 2 ·2H 2 O architectures by a hydrothermal synthesis approach. ZnO microrods and/or columnar film are grown in the aqueous solution containing Zn(Ac)…
Silanol (SiOH) groups on silica particle surfaces undergo silylation reactions with organosilane molecules to give functionalized particles, which are used in many applications. The determination of the extent of this reaction is important for proper design of functionalized materials, depending upon the application.…
Abstract We have performed first principles total energy calculations to investigate the structural and reactivity parameters of novel N 12 X 12 H 12 (X=B, Al, Ga, In, Tl) nitrides, in their coronene‐like (C 24 H 12 ) structure to simulate these sheets. The exchange and correlations potential energies are treated in t…
We investigated Al(n)S(-) (n=3-15) and Al(n)S(2)(-) (n=7-15) clusters with mass spectrometry and photoelectron spectroscopy. We found that Al(13) is relatively robust when it reacts with sulfur atoms, indicating that it has some superatomic character. However, Al(13) cannot be simply considered as a superatom when it…
We report the synthesis of morphological uniform composites using miniemulsions of poly(tert-butyl acrylate) or poly(styrene) containing organically capped gold nanocrystals (NCs). The optical features of such hybrid structures are dominated by plasmonic effects and depend critically on the morphology of the resulting…
Using molecular dynamics we investigate the thermodynamics, dynamics, and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamic, dynamic, and structural anomalies: a maximum in density-temperature plane at constant pressure and maximum and minimum points in th…
Abstract Nanoporous composite films of single‐walled carbon nanotubes (CNTs) and polyaniline (PANI) were grown electrochemically on a platinum electrode with the aim to investigate the influence of the forming process, and thus the influence of the microstructure, on the capacitive performance of the composites. The c…
Chitosan-gold hybrid nanospheres with varying surface zeta potentials were designed as a model system to investigate cell internalization. Gold nanoparticle was selected as optical marker to facilitate the visualization of the hybrid polymeric nanosphere internalization course and the localization in the cell by dark-…
The deposition of carboxylic acid-terminated conducting polymer into two- or three-dimensional structures made up of colloidal particles has been successfully completed. This was accomplished using electrochemical deposition of ordered arrays of mesoporous silica nanoparticles (MSNs) as a template. Subsequent removal…
The transport properties of the devices made by corrugated graphene nanoribbons were investigated using the density functional theory in combination with the nonequilibrium Green’s function method. We find that the transport properties of the zigzag graphene nanoribbons (ZGNRs) with arched corrugation are similar to t…
By means of the “swelling−diffusion−interfacial polymerization method” (SDIPM), we successfully coated polyaniline (PANi) onto the positively charged polystyrene (PS) particles, which electrostatically repulse each other. After initially forming aniline-swollen PS particles, diffusion of the monomer toward the aqueous…
Well-addressed surfaces which consist of self-assembled monolayers (SAMs) of organic molecules have been used to control the assembling of magnetic iron oxide nanoparticles (NPs) coated with oleic acid molecules. The assembling occurs through interactions between the surface of NPs and specific functional terminal gro…
Abstract Traditionally the fluorous phase is generated with perfluorinated alkyl groups that are usually perfluorooctyl or longer and are bioaccummulative and biopersistent and therefore, are considered environmentally unfriendly. Here we report a new concept for the construction of the fluorous phase. This concept is…
The self-diffusion properties of several $\ensuremath{\beta}\text{-Sn}$ symmetric tilt grain boundaries are examined using molecular dynamics simulations. The boundary types examined---(101), (201), (401), (310)-$\ensuremath{\Sigma}5$, and (410)---are chosen from those observed in experiment and from arbitrary Miller…
Magnetic resonance imaging is a noninvasive imaging modality with high spatial and temporal resolution. Contrast agents (CAs) are frequently used to increase the contrast between tissues of interest. To increase the effectiveness of MR agents, small molecule CAs have been attached to macromolecules. We have created a…
Shape memory nanocomposites of polyurethane (PU)-clay were fabricated by melt mixing of PU and nano-clay. Based on nano-indentation and microhardness tests, the strength of the nanocomposites increased dramatically as a function of clay content, which is attributed to the enhanced nanoclay–polymer interactions. Therma…
An advanced level textbook covering geometric, chemical, and electronic structure of electronic materials, and their applications to devices based on semiconductor surfaces, metal-semiconductor interfaces, and semiconductor heterojunctions. Starting with the fundamentals of electrical measurements on semiconductor int…
We apply the recently developed triangular tessellation technique as presented by J. de Graaf et al. [Phys. Rev. E 80, 051405 (2009)] to calculate the free energy associated with the adsorption of anisotropic colloidal particles at a flat interface. From the free-energy landscape, we analyze the adsorption process, us…
Using an adapted Sn-flux growth technique we obtained comparatively large CeFeAsO single crystals of better quality than previously reported polycrystals or single crystals, as evidenced by much sharper anomalies at the structural and magnetic phase transitions as well as a much higher residual resistivity ratio of 12…
Utilizing the Baym-Kadanoff formalism with the polarization function calculated in the random phase approximation, the dynamics of the $\ensuremath{\nu}=0$ quantum Hall state in bilayer graphene is analyzed. Two phases with nonzero energy gap, the ferromagnetic and layer asymmetric ones, are found. The phase diagram i…