Switching it up: New mechanisms revealed in wurtzite-type ferroelectrics.

Wurtzite-type ferroelectrics have drawn increasing attention due to the promise of better performance and integration than traditional oxide ferroelectrics with semiconductors such as Si, SiC, and III-V compounds. However, wurtzite-type ferroelectrics generally require enormous electric fields, approaching breakdown, to reverse their polarization. The underlying switching mechanism(s), especially for multinary compounds and alloys, remains elusive.

Biomechanical Analysis and Design Method for Patient-Specific Reconstructive Implants for Large Bone Defects of the Distal Lateral Femur.

This study aims to develop a generalizable method for designing a patient-specific reconstructive scaffold implant for a large distal lateral femur defect using finite element (FE) analysis and topology optimization. A 3D solid-core implant for the distal femur defect was designed to withhold the femur load. Data from FE analysis of the solid implant were use for topology optimization to obtain a 'bone scaffold implant' with light-weight internal cavity and surface lattice features to allow for filling with bone material.

Real-Time Exciton Dynamics with Time-Dependent Density-Functional Theory.

Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation (xc) kernels behaving as -1/k^{2} to leading order. We show how excitons can be modeled in real-time TDDFT, using an xc vector potential constructed from approximate, long-range corrected xc kernels. We demonstrate, for various materials, that this real-time approach is consistent with frequency-dependent linear response, gives access to femtosecond exciton dynamics following short-pulse excitations, and can be extended with some caution into the nonlinear regime.

Hot-Electron-Mediated Ion Diffusion in Semiconductors for Ion-Beam Nanostructuring.

Ion-beam-based techniques are widely utilized to synthesize, modify, and characterize materials at the nanoscale, with applications from the semiconductor industry to medicine. Interactions of the beam with the target are fundamentally interesting, as they trigger multilength and time-scale processes that need to be quantitatively understood to achieve nanoscale precision. Here we demonstrate for magnesium oxide, as a testbed semiconductor material, that in a kinetic-energy regime in which electronic effects are usually neglected, a proton beam efficiently excites oxygen-vacancy-related electrons.

Production of high-purity neofructooligosaccharides by culture of Xanthophyllomyces dendrorhous.

Neofructooligosaccharides (neo-FOS) were produced in submerged cultures of Xanthophyllomyces dendrorhous. Among the various strains of X. dendrorhous that have intracellular (6)G-fructofuranosidase ((6)G-FFase), BCRC 21346 with high enzyme activity (3.

Synthesis and characterization of diporphyrin sensitizers for dye-sensitized solar cells.

Novel porphyrin dimers with broad and strong absorption in the visible and/or near IR regions have been synthesized; the meso-meso-linked porphyrin dimer (YDD1) exhibited the best photovoltaic performance with power conversion efficiency 5.2% under AM 1.5G one solar illumination.

Novel zinc porphyrin sensitizers for dye-sensitized solar cells: synthesis and spectral, electrochemical, and photovoltaic properties.

Novel meso- or beta-derivatized porphyrins with a carboxyl group have been designed and synthesized for use as sensitizers in dye-sensitized solar cells (DSSCs). The position and nature of a bridge connecting the porphyrin ring and carboxylic acid group show significant influences on the spectral, electrochemical, and photovoltaic properties of these sensitizers. Absorption spectra of porphyrins with a phenylethynyl bridge show that both Soret and Q bands are red-shifted with respect to those of porphyrin 6.

Structure-property relationship for two-photon absorbing multiporphyrins: supramolecular assembly of highly-conjugated multiporphyrinic ladders and prisms.

Two-photon absorption (TPA) phenomena of a series of single-strand as well as supramolecular self-assembled ladders and prisms of highly conjugated ethyne bridged multiporphyrin dimer, trimer, and star shaped pentamer have been investigated. The ligand mediated self-assembled supramolecular structures were characterized by UV-visible spectroscopy and small- and wide-angle X-ray scattering (SAXS/WAXS) analysis. The TPA cross section values of multiporphyrins increase nonlinearly from approximately 100 to approximately 18000 GM with an increased number of porphyrin units and elongated pi-conjugation length by virtue of charge transfer and excited-state cumulenic configurations.

New synthesis of zinc tetrakis(arylethynyl)porphyrins and substituent effects on their redox chemistry.

Sonogashira coupling of zinc 5,10,15,20-tetraethynylporphyrin with various phenyl iodides under mild conditions afforded good yields of the corresponding zinc porphyrins. This method is applicable to a variety of aryl iodides including meso-substituted iodoporphyrin to form a conjugated star-shaped multiporphyrin. The UV-Vis spectra show that peak broadening, red shifts, and changes in the oscillator strength of absorptions increase with the extension of pi-conjugation.