Related papers: Charge transfer in molecular conductors -- oxidati…
The concept of charge-transfer (CT) transitions in ferrites is based on the cluster approach and takes into account the relevant interactions as the low-symmetry crystal field, spin-orbital, Zeeman, exchange and exchange-relativistic…
Charge transport in amorphous oxide semiconductors is often described as the band transport affected by disorder in the form of random potential barriers (RB). Theoretical studies in the framework of this approach neglected so far the…
Charge transport in two zinc metal-organic frameworks (MOFs) has been investigated using periodic semiempirical molecular orbital calculations with the AM1* Hamiltonian. Restricted Hartree-Fock calculations underestimate the band gap…
One of the basic assumptions in organic field-effect transistors, the most fundamental device unit in organic electronics, is that charge transport occurs two-dimensionally in the first few molecular layers near the dielectric interface.…
Studies of angle-dependent magnetoresistance oscillations (AMRO) in the interlayer conductivity of layered metals have generally considered semi-classical electron transport. We consider a quantum correction to the semi-classical…
The charge-transfer (CT) together with the polarization energy appears at second and higher orders in symmetry-adapted perturbation theory (SAPT). At present there is no theoretically compelling way of isolating the charge-transfer energy…
Azulene (Az) is a non-alternating, aromatic hydrocarbon composed of a five-membered, electron-rich and a seven-membered, electron-poor ring; an electron distribution that provides intrinsic redox activity. By varying the attachment points…
We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the…
Organic semiconductors offer an unprecedented flexibility to control the electronic state of interfacial electronic systems. Here we present a first step in realizing organic charge transfer interfaces that combine both a large electrical…
Switching voltage of first-order metal-insulator transition (MIT) in VO_2, an inhomogeneous strongly correlated system, is changed by irradiating an infrared light with wavelength, 1.5 micrometer, and applying the electric field…
We investigate the polarity-dependent field-induced resistive switching phenomenon driven by electric pulses in perovskite oxides. Our data show that the switching is a common occurrence restricted to an interfacial layer between a…
The interplay between charge ordering and its manifestation in macroscopic electrical transport in low-dimensional materials is crucial for understanding resistive switching mechanisms. In this study, we investigate the electronic transport…
We introduce a model to explain the observed ferromagnetism and superconductivity in LAO/STO oxide interface structures. Due to the polar catastrophe mechanism, 1/2 charge per unit cell is transferred to the interface layer. We argue that…
Electronic conduction in conjugated polymers is of emerging technological interest for high-performance optoelectronic and thermoelectric devices. A completely new aspect and understanding of the conduction mechanism on conducting polymers…
The effects of local electronic interactions and finite temperatures upon the transmission across the Cu$_4$CoCu$_4$ metallic heterostructure are studied in a combined density functional and dynamical mean field theory. It is shown that, as…
A class of bistable "stator-rotor" molecules is proposed, where a stationary bridge (stator) connects the two electrodes and facilitates electron transport between them. The rotor part, which has a large dipole moment, is attached to an…
The two-dimensional organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ undergoes a metal-insulator transition at $T_{\rm CO}=135$ K due to electronic charge ordering. We have conducted time-resolved investigations of its electronic properties…
Charge transfer between metal nanoparticles and the supported TiO2 surface is primarily important for catalytic applications as it greatly affects the catalytic activity and the thermal stability of the deposited nanoparticles on the…
We measure charge transport in hydrogenated amorphous silicon (a-Si:H) using a nanometer scale silicon MOSFET as a charge sensor. This charge detection technique makes possible the measurement of extremely large resistances. At high…
Charge migration (CM) is a coherent attosecond process that involves the movement of localized holes across a molecule. To determine the relationship between a molecule's structure and the CM dynamics it exhibits, we perform systematic…