Materials Literature
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Heiß auf Sonnenlicht: Der neue Farbstoff CYC-B1 (siehe Bild) mit dem höchsten Absorptionskoeffizienten eines Ruthenium-Photosensibilisators wurde synthetisiert. Solarzellen mit CYC-B1 haben eine sehr hohe Stromdichte, und seine Umwandlungseffizienz ist 10 % höher als die von cis-Di(thiocyanato)bis(2,2′-bipyridyl-4,4′-…
Acid-base switchable supramolecular dendronized polyacetylenes (DPAs) with increasing steric bulk on going from generation one [G1] to three [G3], were constructed using multiple self-assembly processes between Fréchet-type [G1]-[G3]-dendritic dialkylammonium salts and a dibenzo[24]crown-8-containing polymer. The form…
We use molecular simulations to study the early stages of crystallization in a supercooled liquid of Lennard-Jones particles. We observe the onset of concomitant polymorphism and demonstrate that this phenomenon results from the cross-nucleation of a metastable polymorph on the stable polymorph. We also show that cros…
Saw-like nanostructures composed of single-crystalline ZnO nanobelts and single-crystalline ZnS nanowires have been successfully synthesized by a vapor-solid process. Several techniques, including scanning electron microscope, transmission electron microscopy, and photoluminescence spectroscopy, were used to investiga…
We study the electronic part of the thermal conductivity kappa of metals. We present two methods for calculating kappa, a quantum Monte-Carlo (QMC) method and a method where the phonons but not the electrons are treated semiclassically (SC). We compare the two methods for a model of alkali-doped C60, A3C60, and show t…
The quantum efficiency of an electroluminescent intersubband emitter based on InAs/AlSb has been measured as a function of the magnetic field up to 20T. Two series of oscillations periodic in 1/B are observed, corresponding to the elastic and inelastic scattering of electrons of the upper state of the radiative transi…
The action of Pepto-Bismol arising from the structure and hydrolysis of bismuth subsalicylate (BSS) is not yet understood. Two bismuth oxosalicylate clusters, [Bi38O44(HSal)26(Me2CO)16(H2O)2] (1) and [Bi9O7(HSal)13(Me2CO)5] (2), have been characterized which provide structural insight into the nature of BSS. A Bi9O7 c…
Starting from the stochastic Landau-Lifschitz-Gilbert equation, we derive Langevin equations that describe the nonzero-temperature dynamics of a rigid domain wall. We derive an expression for the average drift velocity of the domain wall as a function of the applied current, and find qualitative agreement with recent…
Critical temperature Tc of the Li2(Pd1-xPtx)3B was reported to be 7-8K for x=0 and 2.2-2.8K for x=1. In this article we present our preliminary results on behavior of magnetization-temperature curves with starting composition of Pd-B precursor, y-Li concentration in LiyPd3B and post-annealing of the Pd-end compound. R…
The interaction of methanethiol molecules CH$_{3}$SH with the Au(111) surface is investigated, and it is found for the first time that the S-H bond remains intact when the methanethiol molecules are adsorbed on the regular Au(111) surface. However, it breaks if defects are present in the Au(111) surface. At low covera…
A differential interference contrast microscopy technique that employs a photonic crystal fiber as a white-light source is used to measure both the real and the imaginary part of the complex dielectric constant of single 10 and 15 nm gold nanoparticles over a wavelength range of 480 to 610 nm. Noticeable deviations fr…
We have recently identified metal-sandwich (MS) crystal structures and shown with ab initio calculations that the MS lithium monoboride phases are favored over the known stoichiometric ones under hydrostatic pressure [Phys. Rev. B 73, 180501(R) (2006)]. According to previous studies synthesized lithium monoboride tend…
Anomalous inter-layer atomic transport of deposited impurity atoms on Al(111) has been found by constant temperature molecular dynamics simulations. The low-energy deposition of Pt on Al(111) leads to oscillatory adsorbate-substrate interaction and to a low-temperature ballistic injection of the deposited particles to…
We study the Mott transition, antiferromagnetism, and superconductivity in layered organic conductors using the cellular dynamical mean-field theory for the frustrated Hubbard model. A $d$-wave superconducting phase appears between an antiferromagnetic insulator and a metal for ${t}^{\ensuremath{'}}/t=0.3--0.7$ or bet…
Nanosized materials have been investigated as potential medicines for several decades. Consequently, a great deal of work has been conducted on how to exploit constructs of this size range in a beneficial way. Similarly, a number of the consequences from the use of these materials have already been considered. Nanosiz…
This review paper summarizes recent advances in the quickly developing field of nanoscale ferroelectrics, analyses its current status and considers potential future developments. The paper presents a brief survey of the fabrication methods of ferroelectric nanostructures and investigation of the size effects by means…
We explore the electronic response of single-walled carbon nanotubes (SWNT) to trace levels of chemical vapors. We find adsorption at defect sites produces a large electronic response that dominates the SWNT capacitance and conductance sensitivity. This large response results from increased adsorbate binding energy an…
One consequence of strong spatial confinement of electronic wave functions in ultrasmall semiconductor nanocrystals is a great enhancement of carrier-carrier interactions, which has a dramatic effect on the spectral and dynamical properties of both single and multiexciton states. Strong carrier-carrier interactions op…
We present results on a series of two-dimensional atomistic computer simulations of amorphous systems subjected to simple shear in the athermal, quasistatic limit. The athermal quasistatic trajectories are shown to separate into smooth, reversible elastic branches which are intermittently broken by discrete catastroph…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric-ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric-ferromagnet interface that alters the interface magnetization when the electric polarization reve…