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Doped films of organic small molecules are investigated with respect to their thermoelectric properties. A variety of hosts and dopants, for both n and p-doping, are compared. C$_{60}$ n-doped by Cr$_2$(hpp)$_4$ or o-MeO-DMBI-I are found to…
Force field have for decades proven to be an indispensable tool for molecular simulations which are out of reach for ab-initio methods. Recent efforts to improve the accuracy of these simulations have focused on the inclusion of many-body…
In this work we developed a method for simulating polar species in the dissipative particle dynamics (DPD) method. The main idea behind the method is to treat each bead as a dumb-bell, i.e. two sub-beads (the sub-beads can bear charges)…
We present a study of the relaxation dynamics of the photoexcited conductivity of the impurity states in the low-density electronic glass, phosphorous-doped silicon Si:P. Using optical pump-terahertz probe spectroscopy we find strongly…
The effects of thermal noise on particle rearrangements in colloidal suspensions undergoing cyclic shear are experimentally investigated using particle tracking methods. The experimental model system consists of polystyrene particles…
To stabilize the working temperature of an equipment, a solid-state thermal resistor is usually a requisite, which could adjust its heat conductance continuously according to the temperature. In this work, the thermal conductivity and the…
The results of a study that helps understand the mechanisms of adsorption of polyelectrolytes on particles, using numerical simulation methods, specifically the one known as dissipative particle dynamics are reported here. The adsorption of…
High temperature superconductivity in doped Mott insulators such as the cuprates contradicts the conventional wisdom that electron repulsion is detrimental to superconductivity. Because doped fullerene conductors are also strongly…
When an excess charge carrier is added to a one-dimensional (1D) semiconductor immersed in a polar solvent, the carrier can undergo self-localization into a large-radius adiabatic polaron. We explore the local optical absorption from the…
Correlations between electrical and thermal conduction in polymer composites are blurred due to the complex contribution of charge and heat carriers at the nanoscale junctions of filler particles. Conflicting reports on the lack or…
This paper presents results for systems formed in a solid glassy state after nanocrystallization process above the glass temperature. We analyze electric conductivity and relaxation processes after such treatment under high temperature (HT)…
Hot carriers in a doped graphene under dc electric field is described taking into account the intraband energy relaxation due to acoustic phonon scattering and the interband generation-recombination transitions caused by thermal radiation.…
We study a simple model consisting of an atomic ion and a polar molecule trapped in a single setup, taking into consideration their electrostatic interaction. We determine analytically their collective modes of excitation as a function of…
Electronic structures of undoped and doped cyclic polythiophene (PT) are studied using modified $\sigma$-bond compressibility model. Cyclic PT doped with odd number of bipolarons creates an aromatic polyene backbone containing (4$n$+2)…
We study the direct incoherent energy transfer from an immobile excited donor molecule to acceptor molecules, which are all attached to polymer chains, randomly arranged in a viscous solvent. The decay forms are found explicitly, in terms…
The ability to induce regions of high and low ionic concentration adjacent to a permeselective membrane or nanochannel subject to an externally applied electric field (a phenomenon termed concentration-polarization) has been used for a…
Optical absorption spectra of poly(thiophene vinylene) (PTV) conjugated polymers have been studied at room temperature in the spectral range of 450 to 800 nm. A dominant peak located at 577 nm and a prominent shoulder at 619 nm are…
The free standing solid polymer nanocomposite films has been prepared through standard solution cast technique. The improvement in structural, microstructural and electrochemical properties has been observed on the dispersion of nanofiller…
We present ac susceptibility and specific heat measurements taken on samples of LiHo$_x$Y$_{1-x}$F$_4$ in the dilute limit: x = 0.018, 0.045, 0.080 and 0.12. Susceptibility measurements show glassy behavior including wide absorption spectra…
The interband and intraband conductivities of doped graphene were theoretically investigated beyond the linear response. The new dependences of induced currents on frequency and amplitude of external electric field, the graphene temperature…