Molecular electronics has recently attracted a lot of attention due to promising application in
nanoscale electronic devices. In this review we highlight recent results in this field, focusing …

The photophysical properties of β-substituted Zn–tetraarylporphyrin (ZnTAP) analogues
used as dyes in dye-sensitized solar cells were studied using density functional theory …

Measurement of the static dielectric permittivity of liquid oleic acid at different temperatures
from 289 K, above of the melting point, to 298 K are reported. These data, together with the …

We theoretically investigate the electronic charge transport in a molecular system composed
of a donor group (dinitrobenzene) coupled to an acceptor group (dihydrophenazine) via a …

We theoretically investigate the electric rectification in an organic two terminal push− pull
molecular device using a combination of ab initio techniques. Our main finding is that the …

To better understand the electronic absorption spectra in the UV–vis region of the methyl red
(MR) dye in its anionic, isoelectronic and zwitterionic forms in aqueous solution, high level …

We study charge transfer in a molecular system composed of a donor and an acceptor
coupled to each other via a carbon conjugated-bond bridge (D-bridge-A). The effects of the …

Recent advances in inorganic nanowires techniques have led to more efficient and reliable
electronic nanodevices as bipolar transistors, field effect transistors, junctions, logic-gate …

Molecular electronics has recently attracted a lot of attention due to promising application in
nanoscale electronic devices. In this review we highlight recent results in this field, focusing …

In the present work we simulate the transport properties and absorption spectra of the
organic compound ethyl red. This is the first theoretical study of a specific pH indicator …