Materials Literature
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This paper describes a study on the shape control of potassium dihydrogen phosphate (KDP) in batch cooling suspension crystallization by selecting the supersaturation as a media control variable. The effects of different cooling modes on the supersaturation level and hence on the crystal shape were investigated. The r…
Amphiphilic telechelics incorporating polyhedral oligosilsesquioxane (POSS) end-caps were synthesized and studied as a novel building block for the construction of inorganic−organic hybrid materials. Their micron-scale morphologies were investigated using hot-stage polarizing optical microscopy (POM), revealing a dram…
Semirigid conjugated polymers have received much scientific and technological interest due to their unique electrical and photonic semiconducting properties. Spectroscopic studies have indicated that these polymers underwent interchain aggregation in the solution state even at large dilution; however, the origin of th…
Self-organized microporous structures based on a series of surfactant-encapsulated polyoxometalate complexes (SECs) have been prepared by using ordered condensed droplets as a template. Among these structures, ordered honeycomb structures were obtained and characterized in detail by taking (DODA)(12)H[Eu(SiW(11)O(39))…
Multiwall nanotubes that have undergone acidic treatment of varying duration were melt-compounded with poly(ethylene terephthalate) (PET) in a batch-mixer in order to create nanocomposite structures. The samples were pressed into films and annealed above the crystallization temperature of the polymer. Fourier Transfor…
The surface structure of Cu(100) modified by chloride and iodide has been studied in an electrochemical environment by means of in-situ scanning tunneling microscopy in combination with in-situ surface X-ray diffraction with a particular focus on adsorbate and potential dependent surface relaxation phenomena. For posi…
Four gadolinium(III) complexes with dicarboxylate ligands of formulas [Gd2(mal)3(H2O)5]n.2nH2O (1), [Gd2(mal)3(H2O)6]n (2), [NaGd(mal)(ox)(H2O)3]n (3), and [Gd2(ox)3(H2O)6]n.2.5nH2O (4) (mal = malonate; ox = oxalate) have been prepared, and their magnetic properties have been investigated as a function of the temperat…
Electron dynamics in Au nanorods are studied with femtosecond nonlinear spectroscopic techniques, by directly exciting and probing the longitudinal surface plasmon resonance. The dispersive and absorptive parts of the third-order signal are measured using optical heterodyne detected four-wave-mixing spectroscopy. Thes…
Theoretical methods based on density functional theory have been employed to analyze the exchange interactions in Fe4 butterfly complexes. Three exchange coupling constants, calculated using a hybrid functional, provide an accurate description of the experimental magnetic susceptibility. The largest coupling constant…
In this work, self-assembled poly(butadiene)-b-poly(ethylene oxide) (PB-PEO) polymersomes (polymer vesicles) and worm micelles were evaluated as paclitaxel carriers. Paclitaxel was successfully incorporated into PB-PEO polymersomes and worm micelles. The loading capacity of paclitaxel inside PB-PEO colloids ranged fro…
The synthesis and characterization of a new chiral LMWG 1 based on the axially chiral binaphthalene with two urea moieties were described. A transparent gel in cyclohexane with LMWG 1 was obtained and characterized by SEM, XRD and CD techniques. The results of 1H NMR measurement indicated that the intermolecular H-bon…
Conjugated polyelectrolyte copolymers containing 2,1,3-benzothiadiazole- (BT) and oligo(ethylene oxide)-substituted fluorene and phenylene units have been designed and synthesized. The phenylene pendent groups also have carboxylic acid functionalities, which allow probing the effect of pH on optical properties. The BT…
The mechanistic cause of the dramatic activity improvement of alumina-supported silver (Ag/Al 2 O 3 ) by H 2 addition for the selective catalytic reduction of NO with propane (C 3 H 8 -SCR) was investigated by catalytic and spectroscopic studies. In situ UV−vis, in situ EXAFS, IR, and microcalorimetric experiments sho…
Determination of kinetic and thermodynamic protein binding constants using interferometry from a porous Si Fabry-Perot layer is presented. A protein A capture probe is adsorbed within the pores of an oxidized porous Si matrix, and binding of immunoglobulin G (IgG) antibodies derived from different species is investiga…
We report on the synthesis, characterization, and electrochemical properties of Ag(2)V(4)O(11) nanowires, alpha-AgVO(3) microrods, and beta-AgVO(3) nanowires that were synthesized through a simple and facile low-temperature hydrothermal approach without any template or catalyst. It was found that by simply controlling…
With today's advancement in nanotechnology, Polymer-Clay Nanocomposite has emerged as a novel food packaging material due to its several benefits such as enhanced mechanical, thermal and barrier properties. This article discusses the potential use of these polymer composites as novel food packaging materials with emph…
Linear scaling methods provide total energy, but no energy levels and canonical wavefuctions. From the density matrix computed through the density matrix purification methods, we propose an order-N (O(N)) method for calculating both the energies and wavefuctions of band edge states, which are important for optical pro…
Results of the bond lengths for various chiralities of single-wall carbon carbon nanotubes (SWNTs) (armchair, zigzag and chiral) are obtained. We use modified helical and rotational symmetries to describe the structure of SWNTs and Tersoff potential to minimize the energy of these tubes. It emerges that in general, tw…
Aspects of transmission electron goniometry are discussed. Combined with high resolution phase contrast transmission electron microscopy (HRTEM) and atomic resolution scanning TEM (STEM) in the atomic number contrast (Z-STEM) or the phase contrast bright field mode, transmission electron goniometry offers the opportun…
This paper is the outgrowth of lectures the author gave at the Physics Institute and the Chemistry Institute of the University of Sao Paulo at Sao Carlos, Brazil, and at the VIII'th Summer School on Electronic Structure of the Brazilian Physical Society. It is an attempt to introduce density-functional theory (DFT) in…