Related papers: pi-Conjugation and conformation in a semiconductin…
Phonon properties of $\mathrm{Mo_3Sb_{7-x}Te_x}$ ($x=0,1.5, 1.7$), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution…
The excited state electronic structure of $\pi$ conjugated phenylene-acetylene oligomers is calculated using time-dependent density functional theory (TD-DFT) approaches. The theoretical fluorescence spectra are analyzed in terms of…
SAXS studies of four 60 base-pair DNA duplexes with sequences closely related to part of the GAGE6 (G-antigen 6) promoter have been performed to study the role of DNA conformations in solution and their potential relationship to DNA-protein…
We use an off-lattice microscopic model for solutions of equilibrium polymers (EP) in a lamellar shear flow generated by means of a self-consistent external field between parallel hard walls. The individual conformations of the chains are…
Electron-hole (e-h) capture in luminescent conjugated polymers (LCPs) is modeled by the dissipative dynamics of a multilevel electronic system coupled to a phonon bath. Electroinjected e-h pairs are simulated by a mixed quantum state, which…
The resonant Raman scattering in N-IR - UV range from amorphous hydrogenated carbon (a-C:H) reveal inclusions of trans-polyacetylene (trans-(CH)x) chains with approximate length of up to 120 C=C units and inclusions of poly(p-phenylene…
This is the first of two parts investigating the Flory-Huggins interaction parameter chi as a function of composition and chain length. Part I encompasses experimental and theoretical work. The former comprises the synthesis of…
Ethyl-hexyl substituted polyfluorene (PF) with its high level of molecular disorder can be described very well by one-carrier space-charge-limited conduction for a discrete set of trap levels with energy $\sim$ 0.5 eV above the valence band…
Photo-physical and nonlinear-optical properties of a new amphiphilic conjugated polymer: hydroxylated pyridyl para-phenylene (Py-PhPPP) both in CH2Cl2 solution and in thin films have been investigated. By using Z-scan technique with…
We report macroscopic sheets of highly conductive bilayer graphene with exceptionally high hole concentrations of ~ $10^{15}$ $cm^{-2}$ and unprecedented sheet resistances of 20-25 {\Omega} per square over macroscopic scales, and obtained…
Topological entanglements in polymers are mimicked by sliding rings (slip-links) which enforce pair contacts between monomers. We study the force-extension curve for linear polymers in which slip-links create additional loops of variable…
Hybrid conjugated polymer/fullerene filaments based on MEH-PPV/PVP/PCBM are prepared by electrospinning, and their properties assessed by scanning electron, atomic and lateral force, tunnelling, and confocal microscopy, as well as by…
We present first-principles band calculations as well as structural optimization of the orthorhombic K$_1$C$_{60}$ polymerized phase. We found three-dimensional inter-fullerene bonding/anti-bonding characters consisting of $t_{1u}$…
Conjugated polymer fibers can be used to manufacture various soft fibrous optoelectronic devices, significantly advancing wearable devices and smart textiles. Recently, conjugated polymer-based fibrous electronic devices have been widely…
Experimental results from mechanical viscoelastic as well as dielectric relaxation times were compared to theoretical expectations utilizing polymer scaling theory. Viscoelastic relaxation of a hydrogel at 33% relative humidity fabricated…
Considering the density-density correlation function of a concentrated polymer solution with multicomponent solvent we find a phase transition due to the heterogeneity of excluded volume constant. This new phase transition implies a strong…
Physically assembled gels have promising applications in many fields because of their tunable mechanical properties. Here, we report the mechanical properties as a function of polymer volume fraction ($\phi$) for a physical gel system…
Binding of Pheophorbide-a of to poly-L-lysine (PLL) have been studied in neutral aqueous buffered solutions of low and near-physiological ionic strengths with low ethanol content (2.4-5.9 %) a wide range of molar polymer-to-dye ratios (P/D)…
The article presents a comprehensive study of counterion dynamics around a generic linear polyelectrolyte (PE) chain with the help of coarse-grained computer simulations. The ion-chain coupling is discussed in the form of binding time,…
Here we report the fabrication and optical characterization of organic microcavities containing liquid-crystalline conjugated polymers (LCCPs): poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT), poly(9,9-dioctylfluorene) (PFO) and…