Materials Literature
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The adsorption properties of isolated H$_{2}$O molecule on stoichiometric and reduced (with on-surface oxygen vacancy) ceria(1111) surfaces at low coverage are theoretically investigated by using density-functional-theory+\emph{U} calculations and \textit{ab initio} molecular dynamics simulations. We identify the most…
Domain walls in multiferroics can exhibit intriguing behaviors that are significantly different from the bulk of the material. We investigate strong magnetoresistance in domain walls of the model multiferroic BiFeO3 by probing ordered arrays of 109° domain walls with temperature- and magnetic-field-dependent transport…
Tungsten oxide nanoparticles were synthesized via a sol-gel route using metallic tungsten as precursor, and were printed on a flexible electrode using inkjet printing in order to build solid-state electrochromic cells. Several spectroscopic techniques were used to characterize and compare tungsten oxide particles obta…
UNLABELLED: The purpose of this study was to develop multimodality SPECT/MRI contrast agents for sentinel lymph node (SLN) mapping in vivo. METHODS: Nanoparticles with a solid iron oxide core and a polyethylene glycol coating were labeled with (99m)Tc. The labeling efficiency was determined with instant thin-layer chr…
In the presence of oriented smectic liquid crystal defects, hybrid systems of nanoparticles/liquid crystals form straight chains of nanoparticles of length longer than tens of micrometers and width equal to one single nanoparticle. The interparticle distance in a chain can be varied between a few micrometers and 1.5 n…
In its physiological state, cyclic adenosine monophosphate (cAMP)-dependent protein kinase (PKA) is a tetramer that contains a regulatory (R) subunit dimer and two catalytic (C) subunits. We describe here the 2.3 angstrom structure of full-length tetrameric RIIβ(2):C(2) holoenzyme. This structure showing a dimer of di…
We investigate the optical properties of gold nanoring (NR) dimers in both simulation and experiment. The resonance peak wavelength of gold NR dimers is strongly dependent on the polarization direction and gap distance. As the gold NR particles approach each other, exponential red shift and slight blue shift of couple…
Mesocrystals are a new class of nanostructured solid materials, which are most often made of crystallographically oriented nanoparticles. Structural features, properties, and possible applications of mesocrystals are summarized in this paper. Due to their unique structural features and the resulting physical and physi…
Understanding the unique properties of water still represents a significant challenge for theory and experiment. Computer simulations by molecular dynamics require a reliable description of the atomic interactions, and in recent decades countless water potentials have been reported in the literature. Still, most of th…
We report a systematic investigation of orthorhombic perovskite-type $R$CrO${}_{3}$ powder samples by Raman scattering for nine different rare earth ${R}^{3+}$ cations ($R$ $=$ Y, La, Pr, Sm, Gd, Dy, Ho, Yb, and Lu). The room-temperature Raman spectra and the associated phonon mode assignment provide reference data fo…
Silkworms and spiders generate fibers that exhibit high strength and extensibility. The underlying mechanisms involved in processing silk proteins into fiber form remain incompletely understood, resulting in the failure to fully recapitulate the remarkable properties of native fibers in vitro from regenerated silk sol…
A novel composite anode material consisting of K(2) NiF(4) -type structured Pr(0.8) Sr(1.2) (Co,Fe)(0.8) Nb(0.2) O(4+δ) (K-PSCFN) matrix with homogenously dispersed nano-sized Co-Fe alloy (CFA) has been obtained by annealing perovskite Pr(0.4) Sr(0.6) Co(0.2) Fe(0.7) Nb(0.1) O(3-δ) (P-PSCFN) in H(2) at 900 °C. The K-P…
This review article provides a brief summary of recent research progress on anisotropic wetting on one-dimensional (1D) and directionally patterned surfaces, as well as the technical importance in various applications. Inspiration from natural structures exhibiting anisotropic wetting behavior is first discussed. Deve…
Abstract Luminescence of semiconductors is nowadays based on very firm background of solid state physics. The purpose of this book is to introduce the reader to the study of the physical principles underlying inorganic semiconductor luminescence phenomena. It guides the reader starting from the very introductory defin…
A fully quantum mechanical investigation using time-dependent density functional theory reveals that the field enhancement in a coupled nanoparticle dimer can be strongly affected by nonlinear effects. We show that both classical as well as linear quantum mechanical descriptions of the system fail even for moderate in…
This paper studied for the first time peak intensity, peak position and FHWM pole figures with one time measurement at the neutron diffractometer STRESS-SPEC via in-situ tensile deformation on austenitic steel. Fibre distribution with its evolution from central tensile direction to normal direction of these three kind…
In the development of new high-temperature alloys for gas turbine applications various candidates are under consideration. This contribution deals with a CoRe based alloy strengthened by Cr 23 C 6 type carbide and Cr 2 Re 3 type σ phase precipitations (here designated as CoRe-1 alloy). High-temperature cycling experim…
When bone is dynamically loaded it adapts its shape to better support the load. We have developed a magnetostrictive composite consisting of Terfenol-D particles encapsulated in an epoxy resin that changes length when exposed to magnetic fields. When bonded to the surface of a porcine tibia ex vitro , the composite pr…
We report accurate Ab initio studies of dipole polarizabilities and the first static hyperpolarizabilities ( β ) of polyacetylene with a number of substituents at the end part of the linear system. Geometries of all molecules were optimized at the Hartree–Fock level with the 6-311G++(d,p) basis set. The results indica…
Influence of polyethylene glycol 6000 (PEG6000) and potassium ferrocyanide (K 4 Fe(CN) 6 ) on electroless copper plating at the nickel-modified surface of para-aramid fibers was investigated in the present work. The surface of para-aramid fibers was roughened using sodium hydride/dimethyl sulfoxide (NaH/DMSO) to guara…