Materials Literature
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We used a focused laser beam to achieve large amplitude and localized controlled actuation in a microstructure made of a ferromagnetic shape memory alloy. Significant deformation (18??m) was achieved at low laser power (20?mW) and the amplitude of actuation could be linearly controlled with the laser power. The rapid…
Neoklassische Architektur: Durch Anfügen von {TeW6O21}-Schichten an ein klassisches {TeW9O33}-Fragment wurde eine neue Klasse von Heteropolyoxometallaten mit pagodenförmigen Bausteinen der Formel [TenW6n+3O21n+12](6+2n)− (n=1, 2, 3) entdeckt. Verknüpfen der Baueinheiten führte zu nanostrukturierten Clustern mit kation…
Two different molecular switches, a spiropyran and a diarylethene, were attached synthetically to the 5-position of 2′-deoxyuridine. The diarylethene-modified nucleoside can be incorporated synthetically into DNA while preserving its characteristic photochromism.
In this work, the synthesis and the photophysical study of novel symmetrical and unsymmetrical squaraine dyes is described. These dyes were prepared by base-catalyzed condensation reaction between 3 H -indolium or benzothiazolium salts with dicyanomethylene squarate, derived from squaric acid. The photophysical behavi…
In this work, magnetization reversal mechanisms in various 35 nm diameter Fe80Ga20/Cu multilayered nanowire arrays were studied by a vibrating sample magnetometer (VSM) equipped with vector coils, making it possible to monitor both x- and y-components of the sample moment during reversal. When reversal fields were app…
We report a linear-scaling computation method for evaluating the dynamic first hyperpolarizability β based on the divide-and-conquer (DC) method. In the present scheme, we utilized the quasi-density-matrix expression derived from Wigner's (2n + 1) rule for β, where the quasi-density matrices are constructed from the s…
All in a lather: A three-dimensional CeO2 foam with long-range ultrathin (4–8 Å) single-crystalline walls was synthesized successfully by thermal decomposing CeGeO4 crystals under an NH3 atmosphere. First-principles calculations were also performed to understand the feasibility and reaction pathways of thermal decompo…
Ga(III)protoporphyrin-IX (Ga-PP) has been proposed as a model for the key interporphyrin interactions in malaria pigment. Unlike the paramagnetic parent iron heme derivatives, Ga-PP is readily soluble in methanol (MeOH). We report optical, mass spectroscopic, and theoretical results for Ga-PP as well as its reactions…
Noncovalent functionalization of single wall carbon nanotubes (SWNTs) by biological and conjugated polymers promises significant improvements in their properties important for future nanotube-based optoelectronic and photovoltaic devices. Using a combination of molecular mechanics and quantum chemistry methods, we inv…
In this work, the graphene/α-SiO2(0001) interface is calculated using density functional theory. On the oxygen-terminated SiO2 surface, atomic structure reconstruction occurs at the graphene/SiO2 interface to eliminate the dangling bonds. The interface interaction is 77 meV/C atom, which indicates that van der Waals f…
The absolute value and temperature dependence of the in-plane magnetic penetration depth $\ensuremath{\lambda}$ have been measured on a single crystal of Ba(Co${}_{0.074}$Fe${}_{0.926}{)}_{2}$As${}_{2}$ using low-energy muon-spin rotation and microwave cavity perturbation. The magnetic field profiles in the Meissner s…
The mutiferroic Bi1−xEuxFeO3 nanoparticles with x = 0 to 0.4 are studied by x-ray diffraction (XRD), Raman spectra and electron spin resonance (ESR) with X-band (9.53 GHz), in order to investigate the doping effect on crystalline and spin structures. Both XRD and Raman spectrum reveal a structural transformation at x…
A microscopic understanding of magnetoelectricity, i.e., the coupling between magnetic (electric) properties and external electric (magnetic) fields, is a crucial milestone for future generations of electrically controlled spintronic devices. Here, we focus on the first magnetoelectric known to mankind: magnetite. By…
Nitrogen-doped diamond was synthesized in open air using laser-assisted combustion flame method. A wavelength-tunable CO2 laser was used to resonantly excite the vibration modes of ammonia molecules, which were added into the diamond forming combustion flame. The wavelength of the CO2 laser was tuned to match frequenc…
We present a computational study of the morphology of adsorbed monolayers on quasicrystalline surfaces with five- and seven-fold symmetry. The phase field crystal model is employed to first simulate the growth of the quasicrystal surfaces and then to elastically couple a two-dimensional film to the substrate. We find…
Abstract Polyaniline (PANI) is one of the most widely used conductive polymers because of its ease of synthesis in addition to its good electrical properties. However, the difficulty in its processability limits its potential applications. In this work, conductive emeraldine salt (i.e., one of the different oxidation…
Abstract The purpose of this study was to develop a degradable thermoset shape‐memory polymer from poly(β‐amino ester) (PBAE) networks. PBAE was chosen to be the crosslinker as it is biodegradable and has been projected as a potential material for biomedical applications. The low glass transition temperature of PBAE w…
Abstract Benzyl nitrite (PhCH 2 ONO) was previously identified as the pivotal intermediate in the HNO 3 ‐mediated oxidation of benzyl alcohol. Its acid‐catalyzed decomposition yields benzaldehyde and HNO, the precursor of undesirable N 2 O. Most likely, an analogous mechanism is responsible for the formation of N 2 O…
Within a knowledge-based multiscale simulation approach for ferroelectric materials, the atomic level can be linked to the mesoscale by transferring results from first-principles calculations into a phase-field model. A recently presented routine (Völker et al 2011 Contin. Mech. Thermodyn. 23 435–51) for adjusting the…
The conformational structure and electronic spectra properties of a series of bay substituted perylenediimides (PDI) derivatives have been investigated by means of density functional theory (DFT) and time-dependent DFT. The B3LYP and PBE0 hybrid exchange-correlation functionals were applied in conjunction with the dou…