Materials Literature
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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…
We show by cryogenic transmission electron microscopy that PbSe and CdSe nanocrystals of various shapes in a liquid colloidal dispersion self-assemble into equilibrium structures that have a pronounced dipolar character, to an extent that depends on particle concentration and size. Analyzing the cluster-size distribut…
The transmission of highly charged ions through nanocapillaries in insulating polyethylene terephthalate (PET) polymers was investigated. In experiments at laboratories in RIKEN (Japan) and HMI (Germany) different detection methods were applied to study the ion current dependence in a wide range covering two orders of…
The critical properties of electron-doped manganite ${\mathrm{La}}_{0.9}{\mathrm{Te}}_{0.1}\mathrm{Mn}{\mathrm{O}}_{3}$ were investigated based on the data of static magnetization measurements around Curie temperature ${T}_{C}$. The magnetic data analyzed in the critical region using the Kouvel-Fisher method yield the…
Pretilt angle effect on liquid crystal dynamics is analyzed theoretically. Analytical expressions are derived to describe liquid crystal response time under nonzero pretilt angle conditions. The theoretical analysis is confirmed experimentally using vertically aligned liquid crystal cells. This finding quantitatively…
Abstract FTIR and FT‐Raman spectra of 5‐bromouracil in the powder form were recorded in the region 400–4000 cm −1 and 50–4000 cm −1 , respectively. The observed wavenumbers were analysed and assigned to different normal modes of vibration of the molecule. Quantum chemical calculations were performed to support the ass…
A strategy for improving mobility of non-layered nanoparticles in a polymer matrix is proposed by reducing the interparticulate attraction and enhancing filler/matrix interaction in the rubbery state of the matrix, which induces additional energy dissipation mechanisms and increases toughness of the composites.
We describe the synthesis, the morphology, and self-assembly behavior of semiconducting poly(4-vinylpyridine- b -diethylhexyloxy- p -phenylenevinylene) (P4VP- b -PPV) rod−coil block copolymer systems. Three different block copolymers with 55%, 80%, and 88% coil volume fraction were synthesized by convergent anionic po…
The vapor-liquid coexistence boundaries of fluids composed of particles interacting with highly directional patchy interactions, in addition to an isotropic square well potential, are evaluated using grand canonical Monte Carlo simulations combined with the histogram reweighting and finite size scaling methods. We are…