The electronic structures and transport properties of a series of actinide monocarbides, mononitrides, and dioxides are studied systematically using a combination of density-functional theory and dynamical mean-field theory. The studied materials present different electronic correlation strength and degree of localization of 5f electrons, where a metal-insulator boundary naturally lies within. ...

An application of the thermodynamic field theory (TFT) to transport processes in L-mode tokamak plasmas is presented. The nonlinear corrections to the linear (”Onsager”) transport coefficients in the collisional regimes are derived. A quite encouraging result is the appearance of an asymmetry between the Pfirsch-Schlüter (P-S) ion and electron transport coefficients: the latter presents a nonli...

We have developed a chemical way of thinking about electron transport in molecules in terms of frontier orbital theory [1-4]. The phase and amplitude of the HOMO and LUMO of πconjugated molecules determine the essential properties of their electron transport. By considering a close relationship between Green’s function and the molecular orbital, we derived an orbital rule that would help our ch...

The electronic structure and spectroscopic properties of seven recently reported rhenium(i) phenanthroline complexes were investigated theoretically by density functional theory (DFT) and time dependent density functional theory (TD-DFT) methods. All the seven complexes are shown here to be better electron transport materials with high quantum efficiency in OLED devices due to their high electr...

Owing amongst other to its high electron mobility, fullerene C70, has been widely used as an electron transporting layer in organic solar cells. In this research, we report the use of C70 thin films as electron transport layers of planar perovskite solar cells (PSCs) using a conventional device structure. The thickness of the C70 layer has been optimized to achieve the best efficiency of 12%. I...

ABSTRACT The paper provides a comprehensive theoretical description of electron transport through transition metal complexes in single molecule junctions, where the main focus is on an analysis of the structural parameters responsible for bias-induced conductance switching as found in recent experiments, where an interpretation was provided by our simulations. The switching could be theoretical...

The observation of spontaneous islands growth in tokamak experiments indicates that the tearing mode could also be linearly unstable. However, in the framework of resistive magnetohydrodynamics, previous works have demonstrated that drift effects, electron heat transport along magnetic field lines and ion Larmor radius effects have stabilizing effects. Recently, numerical calculations and analy...

We present a theory of thermoelectric transport in weakly disordered Weyl semimetals where the electron-electron scattering time is faster than the electron-impurity scattering time. Our hydrodynamic theory consists of relativistic fluids at each Weyl node, coupled together by perturbatively small intervalley scattering, and long-range Coulomb interactions. The conductivity matrix of our theory...