Materials Literature
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To realize good repeatability in CD measurements, many issues have to be addressed including system stability, sample charging and contamination, measurement conditions, and image processing. The S-9380M is a mask CD-SEM (Critical Dimension Scanning Electron Microscope) system developed for measurement and inspection…
Structures of (0 0 0 ) aligned carbon nanotubes (CNTs) formed by surface decomposition of the SiC(0 0 0 ) C-face in vacuum were investigated by cross-sectional, plan-view transmission electron microscopy and electron diffraction methods. Zigzag-type CNTs were confirmed to be selectively formed by this method and the f…
We describe the synthesis, crystal structure and conducting properties of two new BEDT-TTF charge transfer salts of tris(oxalato)ferrate(III) containing slightly different numbers of water molecules, (BEDT-TTF)12[Fe(C2O4)3]2·xH2O [x = 15 (I) and 16 (II)]. I crystallizes in the monoclinic space groupC2/c, a = 36.017(10…
Molecular dynamics simulations at atomistic level have been performed on a metal-porphyrazine complex. Starting from an isotropic state, the system was cooled until transition from isotropic to columnar phase was observed; no nematic phase was encountered. Many tools were utilized to follow the system evolution: order…
We study ultrathin films of 8CB in planar anchoring on a $\mathrm{Mo}{\mathrm{S}}_{2}$ inorganic substrate. We evidence an anchoring breakage for $60\text{\ensuremath{-}}\mathrm{nm}$-thick films, in favor of the homeotropic anchoring at the air interface. This allows one to determine the $8\mathrm{CB}\text{\ensuremath…
It is shown for the first time that the most important intermediate formed during aniline polymerization, the p-aminodiphenylamine, forms a pi-dimer under oxidation at room temperature in acidified organic solvents that are used in electropolymerization. N-Phenylquinonediimine, which is generally assumed to be formed…
Beta-alanine synthase is the final enzyme of the reductive pyrimidine catabolic pathway, which is responsible for the breakdown of uracil and thymine in higher organisms. The fold of the homodimeric enzyme from the yeast Saccharomyces kluyveri identifies it as a member of the AcyI/M20 family of metallopeptidases. Its…
One-dimensional (1D) helical organic nanostructures were synthesized by a modified vapor-solid (VS) process, called the vaporization-condensation-recrystallization (VCR) process. The conventional solution-phase synthetic methods generally mediate self-assemblies of repeating unit molecules. To provide enough intermole…
The structural phase transition and crystallization process of alkane molecules in carbon nanotube (CNT) composites are studied through molecular dynamics simulations. An isotropic-to-nematic transition with molecules aligned with embedded nanotubes is found. Further smectic transition of the alkane molecules is found…
Molecules in motion: The two diastereomeric pentoses ribitol and xylitol differ in that the higher melting isomer, ribitol (see picture, red O, white H) is less dense. Accurate high-resolution diffraction data is used to show that this is an entropy effect caused by a difference between them in the librational motion…
The synthesis, crystal structures, and magnetic properties are reported for a redox family of butterfly-type tetrametallic vanadium alkoxide clusters, namely [V2(VO)2(acac)4(RC{CH2O}3)2] (R=Me 1, Et 2, CH2OH 3), [V2(VO)2(acac)2(O2CPh)2(MeC{CH2O}3)2] (5), [(VO)4(MeOH)2(O2CPh)2({HOCH2}C{CH2O}3)2] (6), [V4Cl2(dbm)4(RC{CH…
Alkoxy-bridged rhenium(I) rectangles [{(CO)(3)Re(mu-OR)(2)Re(CO)(3)}(2)(mu-bpy)(2)] (1, R = C(4)H(9); 2, R = C(8)H(17); 3, R = C(12)H(25); bpy = 4,4'-bipyridine) comprising long alkyl chains form optically transparent aggregates and exhibit luminescence enhancement in the presence of water. The aggregation of Re(I)-re…
The capillary filling of a nanotube coated with a polymer brush is studied by molecular dynamics simulations of a coarse-grained model, assuming various conditions for the fluid-wall and fluid-brush interactions. Whereas the fluid is modeled by simple point particles interacting with Lennard-Jones forces, the (end-gra…
Starting from exact relations for finite Husimi cacti we determine their complete spectra to very high accuracy. The Husimi cacti are dual structures to the dendrimers but, distinct from these, contain loops. Our solution makes use of a judicious analysis of the normal modes. Although close to those of dendrimers, the…
Dual hybridization of highly fluorescent conjugated polymers and highly luminescent nanocrystals (NCs) is developed and demonstrated in multiple combinations for controlled white light generation with high color rendering index (CRI) (> 80) for the first time. The generated white light is tuned using layer-by-layer as…
Abstract Nanocapsules containing the hydrophilic contrast agents Magnevist® and Gadovist® are synthesized in an inverse miniemulsion process. First, nanodroplets of 100 to 550 nm are formed which are subsequently encapsulated by an interfacial polyaddition in polymeric shells of polyurethane, polyurea and crosslinked…
Tadpole-shaped gold nanoparticles are synthesized in high yield by a simple temperature-reducing seeding approach, without additional capping agent or surfactant. The initial concentration of gold ions, the added seed colloids, and the solution reaction temperature play critical roles. Examination of nanoparticles at…
Raman investigations were carried out during an isothermal transformation of deeply supercooled liquid $n$-butanol, recently interpreted as a polyamorphic transition. Raman spectra indicate that the newly emerging state is a mixed crystal-liquid state, and not another amorphous state. The long-range order in crystalli…
A rare Mn 9 μ 3 -oxo-centered mixed-valent cluster [Mn 9 O 7 (O 2 CPh) 11 (thmn)(py) 2 (H 2 O) 3 ] ( 1 ) is prepared by assembling an oxo-centered Mn II Mn III 2 triangle, [Mn 3 O(O 2 CPh) 6 (py) 2 (H 2 O)]·0.5MeCN, as the secondary building unit in the presence of a tripodal alcohol, 1,1,1-tris(hydroxymethyl)nitromet…
In this letter, we report the first facile open-bench synthesis of BaTiO3, SrTiO3 nanocrystals, and their nanosolid solutions BaxSr1-xTiO3 (BST) at 80 degrees C. The size of the BST nanoparticles was readily tuned from approximately 50 to approximately 10 nm with achievable giant dielectric constants. The process yiel…