Relatively low electron mobility has been thought to be a key factor that limits the overall photocatalytic performance of BiVO4, but the behavior of electrons has not been fully elucidated. We examine electron localization and transport in BiVO4 using hybrid density functional theory calculations. An excess electron is found to remain largely localized on one V atom. The predicted hopping barr...

The full three-dimensional dispersion of the pi bands, Fermi velocities, and effective masses are measured with angle-resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional theory underestimates the slope of the bands and the trigonal warping effect. Including electron-electron correlation on the level of the GW approximation,...

Ultrarelativistic electron-positron plasmas can be produced in high-intensity laser fields and play a role in various astrophysical situations. Their properties can be calculated using QED at finite temperature. Here we will use perturbative QED at finite temperature for calculating various important properties, such as the equation of state, dispersion relations of collective plasma modes of p...

The energy-dependent Andreev reflection eigenvalues determine the transport properties of normal-superconducting systems. We evaluate the eigenvalue density to get insight into the formation of resonant electron-hole transport channels. The circuit-theory-like method developed can be applied to any generic mesoscopic conductor or combinations thereof. We present the results for experimentally r...

Associating molecular structure with quantum interference features in electrode-molecule-electrode transport junctions has been difficult because existing guidelines for understanding interferences only apply to conjugated hydrocarbons. Herein we use linear algebra and the Landauer-Büttiker theory for electron transport to derive a general rule for predicting the existence and locations of inte...

The electron diffusion and transport within the TiO2 network affect directly the device performance and, therefore, these phenomena have been studied over the past decades using different techniques and different charge transport models, such as Drude’s, and modified Drude’s models or effective medium theory. Here we employed optical pump THz probe spectroscopy (OPTP) to monitor the temporal ev...

We present a density functional theory (DFT) study on charge-transport related properties in a series of discotic systems based on 1,3,5-triazine and tris[1,2,4]triazolo[1,3,5]triazine central cores as electron acceptor units, and phenyl-thiophene and N-carbazolyl-thiophene segments as electron donor units. The presence of both electron donor and acceptor moieties in the π-conjugated core could...

We address the enhancement of electron transport in semiconductor superlattices that occurs in combined electric and magnetic fields when cyclotron rotation becomes resonant with Bloch oscillations. We show that the phenomenon is regular in origin, contrary to the widespread belief that it arises through chaotic diffusion. The theory verified by simulations provides an accurate description of e...

Abstract. General theoretical approach, based on projection operator techniques and scattering theory, applied to the electron transport through flexible molecular bridge is reviewed and explained within a simple model describing a biphenyl molecule connected between two metal leads. Transmission probability through the bridge and its current-voltage characteristics are calculated in one electr...

We report a successful quantitative account of the experimentally determined electron thermal conductivity chi(e) in a beam-heated H mode plasma by the magnetic fluctuations from microtearing instabilities. The calculated chi(e) based on existing nonlinear theory agrees with the result from transport analysis of the experimental data. Without using any adjustable parameter, the good agreement s...