Related papers: Charge Transport in Dendrimer Melt using Multiscal…
We present a hybrid method based on a combination of quantum/classical molecular dynamics (MD) simulations and a mod el Hamiltonian approach to describe charge transport through bio-molecular wires with variable lengths in presence o f a…
The hot carrier dynamics and its effect on the device performance of GaAs solar cell and InAs/GaAs quantum dot solar cell (QDSC) was investigated. At first, the fundamental operation feature of conventional hot carrier solar cell was…
This work reports an investigation of electron transport in monoclinic \beta-Ga2O3 based on a combination of density functional perturbation theory based lattice dynamical computations, coupling calculation of lattice modes with collective…
We investigated the influence of oxygen on the performance of P3HT:PCBM (poly(3-hexylthiophene):[6,6]-phenyl C61 butyric acid methyl ester) solar cells by current--voltage, thermally stimulated current (TSC) and charge extraction by…
Charge transport is well understood in both highly ordered materials (band conduction) or highly disordered ones (hopping conduction). In moderately disordered materials -- including many organic semiconductors -- the approximations valid…
Charge transport is crucial to the performance of hybrid halide perovskite solar cells. A theoretical model based on large polarons is proposed to elucidate charge transport properties in the perovskites. Critical new physical insights are…
The carrier mobility of a graphene double-layer system is evaluated on the basis of the Boltzmann transport theory. In this system, two graphene layers are separated by a dielectric barrier layer. We focus on the cases in which there is…
Technologies based on the use of hydrogen are promising for future energy requirements in a more sustainable world. Consequently, modelling fuel cells is crucial, for instance, to optimize their control to achieve excellent performance, to…
Ambipolar transport has been realised in blends of the molecular hole conductor Cu-phthalocyanine (CuPc) and the electron conducting fullerene C60. Charge carrier mobilities and the occupied electronic levels have been analyzed as a…
Molecular aggregates can under certain conditions transport electronic excitation energy over large distances due to dipole-dipole interactions. Here, we explore to what extent thermal motion of entire monomers can guide or enhance this…
The resistivity model as a function of temperature and ionization energy (doping) is derived with further confinements from spin-disorder scattering in ferromagnetic phase. Magnetization and polaronic effects capture the mechanism of both…
Magneto-transport measurements of ferromagnetic MnAs epilayers grown by molecular beam epitaxy reveal the presence of both positive and negative charge carriers. Electrical transport at high temperatures is dominated by holes, and at low…
Understanding the transport mechanism of electronic excitations in conjugated polymers is key to advancing organic optoelectronic applications, such as solar cells, OLEDs and flexible electronics. While crystalline polymers can be studied…
The mechanism underlying charge transport in strongly correlated quantum systems, such as doped antiferromagnetic Mott insulators, remains poorly understood. Here we study the expansion dynamics of an initially localized hole inside a…
We present the implementation and application of a multiphysics simulation technique to carrier dynamics under electromagnetic excitation in supported two-dimensional electronic systems. The technique combines ensemble Monte Carlo (EMC) for…
Deviations of molecular shapes from spherical symmetry may give rise to a variety of novel phenomena, including their dynamic behavior. It has recently been predicted [Mazza \textit{et al}. Phys. Rev. Lett. \textbf{105}, 227802 (2010)] that…
Chromium antimonide has emerged as a key material platform for studying altermagnetism because of its simple binary composition, high N\'eel temperature, and semimetallic electronic structure. Here, we investigate electrical and thermal…
The charge carrier dynamics of organic solar cells are strongly influenced by trapping and allow to draw conclusions on the loss mechanisms limiting the photovoltaic performance. In this study we derive the recombination order \Delta\ of…
We numerically investigate the electronic transport properties between two mesoscopic graphene disks with a twist by employing the density functional theory coupled with non-equilibrium Green's function technique. By attaching two graphene…
Mixed layers of copper-phthalocyanine (p-conductive) and fullerene (n-conductive) are used for the fabrication of organic field-effect transistors (OFETs) and inverters. Regarding the electrical characteristics of these donor-acceptor…