Related papers: Molecular dynamics and charge transport in highly …
Porous graphene has high mechanical strength and atomic layer thickness, which make it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solution are a kind of strong…
We investigate the mobility of nanometer-size solutes in water in a uniform external electric field. General arguments are presented to show that a closed surface cutting a volume from a polar liquid will carry an effective non-zero surface…
Block-copolymer electrolytes with lamellar microstructure show promising results regarding the ion transport in experiments. Motivated by these observations we study block-copolymers consisting of a polystyrene (PS) block and a…
Contact electrification, or contact charging, refers to the process of static charge accumulation after rubbing, or even simple touching, of two materials. Despite its relevance in static electricity, various natural phenomena, and numerous…
We measure hole transport in poly(3-hexylthiophene) field effect transistors with channel lengths from 3 $\mu$m down to 200 nm, from room temperature down to 10 K. Near room temperature effective mobilities inferred from linear regime…
In the present work, a detailed analysis of the glassy behavior and the relaxation dynamics of the liquid crystal dimer {\alpha}-(4-cyanobiphenyl-4'-yloxy)-{\omega}-(1-pyrenimine-benzylidene-4'-oxy) heptane (CBO7O.Py) throughout both…
Poly(N-isopropylacrylamide) (PNIPAM) is a synthetic polymer that is widely studied for its thermoresponsive character. However, recent works also reported evidence of a low temperature (protein-like) dynamical transition around 225 K in…
We analyze, through molecular dynamics simulations, the temperature dependence of the thermal conductivity (k) of chain-oriented amorphous polyethylene (PE). We find that at increasing levels of orientation, the temperature corresponding to…
The mobility of electrons and holes in silicon depends on many parameters. Two of them are the electric field and the temperature. It has been observed previously that the mobility in the transition region between ohmic transport and…
Polymer solutions subject to pressure driven flow and in nanoscale slit pores are systematically investigated using the dissipative particle dynamics approach. We investigated the effect of molecular weight, polymer concentration and flow…
Molecular dynamics simulation is utilized to investigate the ionic transport of NaCl in solution through a graphene nanopore under an applied electric field. Results show the formation of concentration polarization layers in the vicinity of…
Transparent glasses in the system 0.5Li2O-0.5M2O-2B2O3 (M=Li, Na and K) were fabricated via the conventional melt quenching technique. Amorphous and glassy nature of the samples were confirmed via the X-ray powder diffraction and the…
Compared to the widely investigated crystalline polymorphs of gallium oxide (Ga2O3), knowledge about its amorphous state is still limited. With the help of a machine-learning interatomic potential, we conducted large-scale atomistic…
Carrier dynamics in amorphous a-Si$_{1-x}$RE$_{x}$ (RE=Gd, Y) films has been studied in the doping regime close to the metal-insulator transition by means of infrared spectroscopy. Optical constants throughout the entire intra-gap region…
Electric-field-driven transport of electronic fluids in metallic glasses as well as three-dimensional amorphous superconductors are investigated by using the verified approach which has been successfully adopted to study the critical…
Relevant information about the nature of the dynamics of ions in electrolytes can be obtained by studying the nonlinear dependence on an applied electric field. Here we use molecular dynamics (MD) simulations to study the field effects for…
Nanoporous membranes, leveraging their high-throughput characteristics, have been widely applied in fields such as molecular separation and energy conversion. Due to interpore interactions, besides the applied voltage and solution…
Recent cutting-edge experiments have provided {\it in situ} structure characterization and measurements of the pressure ($P$), density ($\bar{\rho}$) and temperature ($T$) of shock compressed silicon in the 100 GPa range of pressures and…
The static and the dynamic properties of a size-polydisperse model ionic liquid is studied using molecular dynamics simulations. Here, size of the anions is derived from a Gaussian distribution while keeping cation size fixed, resulting in…
Poly(vinyl alcohol)/Poly(vinylidene fluoride) blends at mass ratio 3:1 with Nano - Graphene Platelet fillers constitute mechanically and thermally stable systems, which are used for developing piezoelectric devices. Blends host a fraction…