Search results for "AIC"

Grafted polymer layers under variable solvent conditions: A Monte Carlo simulation

1993

Polymer chains anchored with one end at a hard wall under variable solvent conditions are investigated by Monte Carlo simulations using the bond- fluctuation model. Detail information on the structural properties are obtained above, at, and below the Θ-point and discussed in terms of the appropriate theories. In particular, the scaling of the brush thickness is formulated and verified by the simulation data. For the dynamics at the Θ-point, both the relaxation time of the chain configuration and the mean-square time displacement are studied. At temperatures distinctly below the Θ-point, we find that the layer develops considerable lateral inhomogeneity in its density, which has not been pre…

Efficient photovoltaic and electroluminescent perovskite devices.

2015

Planar diode structures employing hybrid organic–inorganic methylammonium lead iodide perovskites lead to multifunctional devices exhibiting both a high photovoltaic efficiency and good electroluminescence. The electroluminescence strongly improves at higher current density applied using a pulsed driving method.

Escape transition of a compressed polymer mushroom under good solvent conditions

1999

The escape transition of a flexible polymer chain of chain length N, endgrafted at a hard wall and compressed by a piston of radius R, is studied by Monte Carlo simulation and by phenomenological arguments. In contrast to previous theories which have considered the transition as a function of a (fixed) height H of the piston above the wall, we consider the transition as a function of the conjugate variable, the force f acting on the piston. We find that the transition (which is sharp only for N → ∞) is characterized by a flat region of f in the f vs. H isotherm, i.e. a jump in the height occurs at the transition from Hesc,t to Himp,t, with (Himp,t − Hesc,t)/Hesc,t ≈ 0.26.

Photovoltaic Properties of a Porphyrin-Containing Polymer as Donor in Bulk Heterojunction Solar Cells With Low Energy Loss

2017

Main-Chain and Side-Chain C60-Polymers

2009

Enrichment of the chain ends in polymer melts at interfaces

1991

Chain Stiffness of Elastin-Like Polypeptides

2010

The hydrodynamic radii of a series of genetically engineered monodisperse elastin like polypeptides (ELP) was determined by dynamic light scattering in aqueous solution as function of molar mass. Utilizing the known theoretical expression for the hydrodynamic radius of wormlike chains, the Kuhn statistical segment length was determined to be lk = 2.1 nm, assuming that the length of the peptide repeat unit was b = 0.365 nm, a value derived for a coiled conformation of ELP. The resulting chain stiffness is significantly larger than previously reported by force-distance curve analysis (lk < 0.4 nm). The possible occurrence of superstructures, such as hairpins or helices, would reduce the conto…

Computer Simulation of Polymers: Physics and Methods from Specific to Universal

2004

We will discuss in this contribution several aspects of the physics of polymers on different length and time scales and the simulation methods suited for their study. A Molecular Dynamics (MD) simulation of a chemically realistic model is needed to get quantitative insight into local relaxation processes. This study will also reveal the importance of four-particle correlations in polymer dynamics resulting from the presence of dihedral potentials along the chain. Universal largescale chain relaxation can be studied by realistic models as well, but in far better statistical accuracy by Monte Carlo (MC) simulations of a coarse-grained lattice model. Finally we will present considerations for …

Photoluminescence waveguiding in CdSe and CdTe QDs–PMMA nanocomposite films

2011

In this paper, active planar waveguides based on the incorporation of CdSe and CdTe nanocrystal quantum dots in a polymer matrix are demonstrated. In the case of doping the polymer with both types of quantum dots, the nanocomposite film guides both emitted colors, green (550 nm, CdTe) and orange (600 nm, CdSe). The optical pumping laser can be coupled not only with a standard end-fire coupling system, but also directing the beam to the surface of the sample, indicating a good absorption cross-section and waveguide properties. To achieve these results, a study of the nanocomposite optical properties as a function of the nanocrystal concentration is presented and the optimum conditions are fo…

New Viscoelastic Materials Obtained by Insertion of anα-Olefin in atrans-Polyisoprene Chain with a Single-Component Organolanthanide Catalyst

2001

Copolymerisation of isoprene with C 6 -C 18 a-olefins by a single component organolanthanide catalyst affords poly(trans-1,4-isoprene) containing 6-10% of inserted olefin. The mechanical properties of highly crystalline transpolyisoprene are dratically modified after insertion of the alkyl chains, leading to quasi-amorphous viscoelastic materials.