Materials Literature
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The adsorption and diffusion of a Zn atom on a Zn(001) surface has been investigated theoretically by using first-principles periodic boundary condition calculations to elucidate the mechanism of crystal growth of zinc in a Zn surface. Three surface models, terrace, step, and kink, of the Zn(001) surface were consider…
The interactions of L-alanine with gamma- and alpha-alumina have been investigated by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). L-alanine/alumina samples were dried from aqueous suspensions, at 36.5 degrees C, with two amino acid concentrations (0.4 and 0.8 mmol g-1) and at different pH val…
A one-dimensional coordination polymer [Co(μ 1,3-NCS)2(npdo)2] n (npdo = 4-nitropyridine N-oxide) has been synthesized and structurally determined by X-ray crystallography. The complex crystallizes in the orthorhombic space group of Pbcn with a = 22.688(5) Å, b = 7.2636(17) Å, c = 10.299(2) Å. Adjacent Co(II) ions are…
Recent progress in the development of patterned magnetic recording media is presented, focusing on the results of patterned media fabricated by a self-assembled mask process. Several issues such as fabrication process, flyability, and signal processing have been discussed so far. However, recent progress seems to reso…
Six new lanthanide Schiff-base complexes were synthesized by reactions of hydrated lanthanide nitrates with H2L (H2L = N,N′-bis(salicylidene)-1,2-cyclohexanediamine) and characterized by elemental analysis, DTA–TG, IR, UV and luminescence spectra. The microanalyses and spectroscopic analyses indicate a 1D polymeric st…
In the present work, to determine the effective atomic number of composite materials of known composition such as brass, bronze, soldering material, perspex and bakelite, the scattering of 279 keV γ-rays is studied using a high-resolution HPGe (high purity germanium) semiconductor detector placed at 50° to the inciden…
We report here on the optical properties of silver films deposited on two-dimensional colloidal crystals. The structure exhibits unusual transmission spectra which resemble the enhanced optical transmission of periodic arrays of subwavelength holes in metal films. By taking into account combined experimental data from…
A generally applicable synthetic approach to dipeptide-DOTAM conjugates has been developed which is based on the peralkylation of 1,4,7,10-tetraazacyclododecane (cyclen) with protected N-iodoacetyl dipeptides. Standardized procedures were used for the alkylation, metalation, and purification of the resultant lanthanid…
Hydrogen-bonding effects on film structures and photophysical, photoelectrochemical, and photovoltaic properties have been examined in mixed films of porphyrin and fullerene composites with and without hydrogen bonding on nanostructured TiO 2 electrodes. The nanostructured TiO 2 electrodes modified with the mixed film…
DFT calculations have underscored the importance of the tripodal supporting ligand in tuning the spin-state energetics of pseudotetrahedral transition metal imido complexes. In particular, we have focused on Co(III)-imido complexes, where our best estimate (OLYP) of the singlet-triplet splitting varies from 0.75 eV fo…
Sulfathiazole is a highly polymorphic model system exhibiting at least five polymorphic forms: I, II, III, IV, and V. Polymorph stability is known to be susceptible to solvent environment, and it is established that 1-propanol stabilizes the most metastable form I. This study examines the effect of a range of alcohols…
This paper presents a three-dimensional constitutive model for shape-memory alloys that generalizes the one-dimensional model presented earlier (Sadjadpour and Bhattacharya 2007 Smart Mater. Struct. 16 S51–62). These models build on recent micromechanical studies of the underlying microstructure of shape-memory alloys…
Pyrophyllite is widely used both as a gasket material and as a pressure-transmitting medium, especially for a large-volume press. Its pressure-transmitting efficiency mainly depends on the following factors: geometry of anvil and pyrophyllite block, chemical composition, density and strength. For a long time, most stu…
Abstract The degradation and flame retardancy of polypropylene/organically modified montmorillonite (PP/OMMT) nanocomposite were studied by means of gas chromatography‐mass spectrometry and cone calorimeter. The catalysis of hydrogen proton containing montmorillonite (H‐MMT) derived from thermal decomposition of (alky…
By means of ab initio quantum chemical techniques, the interaction of molecular hydrogen with the first member of the IRMOF family is explored. Many different models and computational schemes, ranging from second-order Møller−Plesset perturbation theory (MP2) to density functional theory (DFT), have been applied in or…
A quantum chemical computational scheme for the calculation of isomer shift in Mossbauer spectroscopy is suggested. Within the described scheme, the isomer shift is treated as a derivative of the total electronic energy with respect to the radius of a finite nucleus. The explicit use of a finite nucleus model in the c…
We use time-resolved measurements of the evolution of surface and buried layer temperatures to quantify the contribution of ballistic phonons to heat transport on nanometer length scales. A laser pulse heats a $100\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$ thick Al film which cools by conduction into a GaAs substrate. Th…
Single-crystalline gold nanorods synthesized by the Ag(I)-mediated seeded-growth method (see: El-Sayed, M. A.; Nikoobakht, B. Chem. Mater. 2003, 15, 1957) were used as seeds for the preferential overgrowth of gold on particular crystallographic facets by systematic variation of the conditions during overgrowth. The re…
The tritopic bridging ligand hexaazatriphenylene (HAT) has been used to prepare the mono-, di-, and trinuclear cyanoruthenate complexes [Ru(CN)(4)(HAT)](2-) ([1](2-)), [{Ru(CN)(4)}(2)(mu(2)-HAT)](4-) ([2](4-)), and [{Ru(CN)(4)}(3)(mu(3)-HAT)](6-) ([3](6-)). These complexes are of interest both for their photophysical…
In this contribution we present systematic studies on the purification and subsequent functionalization of magnetically pure single-walled carbon nanotubes. We show through a combination of burning treatments and microwave digester treatments in aqua regia that single-walled carbon nanotubes can be purified without in…