Search results for "transition"

Perovskite solar cells employing organic charge-transport layers

2013

Thin-film photovoltaics play an important role in the quest for clean renewable energy. Recently, methylammonium lead halide perovskites were identified as promising absorbers for solar cells(1). In the three years since, the performance of perovskite-based solar cells has improved rapidly to reach efficiencies as high as 15%(1-10). To date, all high-efficiency perovskite solar cells reported make use of a (mesoscopic) metal oxide, such as Al2O3, TiO2, or ZrO2, which requires a high-temperature sintering process. Here, we show that methylammonium lead iodide perovskite layers, when sandwiched between two thin organic charge-transporting layers, also lead to solar cells with high power-conve…

GLASS TRANSITION IN THIN POLYMER FILMS: A MOLECULAR DYNAMICS STUDY

2002

A melt of nonentangled polymer chains confined between two smooth and purely repulsive walls is studied for various film thicknesses D and temperatures. The dynamics of the supercooled films is qualitatively identical to that of the bulk, but the walls lead to faster relaxation. To quantify this observation we analyze the data by the mode-coupling theory (MCT) of the glass transition. We find that the critical temperature of MCT, Tc(D), decreases with D and that T - Tc(D) is a relevant temperature scale. The static structure factor and dynamic correlation functions at intermediate times coincide with bulk behavior when compared to the same T - Tc(D).

Electrical Voltage Control of the Pressure-Induced Spin Transition at Room Temperature in the Microporous 3D Polymer [Fe(pz)Pt(CN)4]

2019

Fine control and direct monitoring of the spin crossover properties driven by pressure at room temperature are reported for the porous three-dimensional coordination polymer {Fe(pz)[Pt(CN)4]} by us...

Tracer diffusion in polymer and organic liquids close to the glass transition studied by forced rayleigh scattering

2007

Translational diffusion coefficients D of photochronic dye molecules have been measured by forced Rayleigh scattering in polymer diluent systems at compositions from pure polymer to pure diluent. D could be measured down to below the glass transition temperature T g. In the pure diluent, D(T g) was found typically about two decades below that in the pure polymer but still far above the Stokes-Einstein prediction extrapolated from high temperatures. Some experimental results are in contrast with predictions from free-volume theory.

The effect of free polymer on the interactions and the glass transition dynamics of microgel colloids.

2002

By studying the phase behaviour and the short range order of polystyrene microgel colloids in a good solvent we demonstrated that these particles can be considered as hard spheres or nearly hard spheres if the internal cross link density is made sufficiently high. A binary mixture of 1:50 crosslinked (1 crosslink per 50 monomers) particles with a size ratio R(small)/R(large) = 0.83 and a number ratio N(small)/N(large) = 2.7 was characterized with respect to the short range order and glass transition dynamics. We found that this mixture can be mapped onto a one-component hard sphere system with an effective polydispersity of 11%, even though for the particle interactions an inverse power pot…

The effect of free polymer on the glass transition dynamics of microgel colloids

2002

Abstract From the phase behavior we establish that 1:10 crosslinked polystyrene microgel colloids in a good solvent can be considered as hard spheres whereas 1:50 crosslinked particles are slightly softer. Nevertheless, the glass transition dynamics of 1:10 microgels and a binary mixtures of 1:50 microgels can be described in both cases within the mode coupling theory for hard spheres. The only difference is that the increase of the polydispersity from about 7% to about 13% when going from the one-component system to the mixture is accompanied by a shift of the glass transition from ϕ g ≈0.56 to ϕ g ≈0.595. On addition of linear polystyrene to the 1:50 binary mixture we find a tremendous ac…

Polymer Dynamics in a Polymer-Solid Interphase: Molecular Dynamics Simulations of 1,4-Polybutadiene At a Graphite Surface

2014

A chemically realistic model of 1,4-polybutadiene confined by graphite walls in a thin film geometry was studied by molecular dynamics simulations. The chemically realistic approach allows for a quantitative determination of a variety of experimentally accessible relaxation functions (e.g., dielectric, NMR, or neutron scattering responses). The simulations yield these experimental observables. Additionally, the simulations can be resolved as a function of distance to the solid interface on a much finer scale than experimentally possible, providing a detailed mechanistic picture of the segmental and large scale motions of polymers in the interfacial region between bulk polymer melts and soli…

Spatial scale-dependent tracer diffusion in bulk polycarbonate studied by holographic relaxation.

2005

The diffusion of a photochromic dye tracer in polycarbonate was studied by a holographic relaxation technique (forced Rayleigh scattering) at temperatures close to the glass transition temperature. By varying the holographic grating period the results could be interpreted via the spatial scale dependence of apparent diffusion coefficients within a two-state diffusion model. This indicates inhomogeneities on the scale of a few micrometers in the polymer glass.

1993

4-(4-Carboxyphenyl)-3,5-dioxo-1,2,4-triazolidin-1-yl moieties resulting from 4-(3,5-dioxo-1,2,4-triazolin-4-yl)benzoic acid (U4A) randomly attached to 1,4-polybutadiene form supramolecular aggregates which act as effective junction zones in new thermoplastic elastomers. Deuteron nuclear magnetic resonance (2H NMR) spectroscopy was used to investigate the molecular dynamics of the polymer backbone and the junction zones in selectively labelled samples. The spectra show motional heterogeneity along the polymer chain as well as in the supramolecular domains. Polybutadiene segments which are adjacent to these polar clusters are restricted in their mobility, even at temperatures 100 K above the …

Isostructural compartmentalized spin-crossover coordination polymers for gas confinement

2016

[EN] Here we present two FeII coordination polymers that possess discrete compartments suitable for CO2 physisorption despite the lack of permanent channels. The two crystalline materials, of general formula [Fe(btzbp)3](X)2 (X = ClO4 or BF4), present voids of ca. 250 Å3, which each can accommodate up to two CO2 molecules. The abrupt spin transition can be modified upon CO2 sorption, and different magnetic behaviour is observed depending on the number of molecules sorbed.