Photochromism is defined as a reversible transformation of a chemical species between two
isomers having different absorption spectra induced in one or both directions by …

We review the fascinating research on charge transport through switchable molecules. In the
past decade, detailed investigations have been performed on a great variety of molecular …

On the basis of their unique electrical and mechanical properties, carbon nanotubes (CNTs)
have attracted great attention in recent years. A diverse array of methods has been …

Photochromic molecules exhibit photoresponsive variations in their physical properties. For
example, energy level, π-conjugation, dipole moment, ionic state and steric conformation …

Density functional theory (DFT) is used for investigating the electronic structure and optical
properties carbon nanotubes (CNTs) with doped B, Al, Ga, Si, Ge, N, P and As and different …

The electronic structure and properties of N, Si and Pd-doped (10, 0) SWCNTs were studied
by DFT method. N, Si and Pd dopings induced great structural modifications of the carbon …

The review integrates and analyzes the experimental and theoretical studies published in
the last 15 years dealing with the synthesis and physicochemical and photochromic …

We report a full self-consistent ab initio calculation of the conductance of a diarylethene-
based molecular switch with two graphene electrodes. Our results show the contributions of …

Using non equilibrium Green's function formalism coupled with density functional theory, we
carry out electronic transport calculation in two types of molecular devices, one constructed …

Abstracts The geometry and electronic structure of C-doped boron nitride nanotubes
(BNNTs) of (3, 2) are investigated systematically using the hybrid Heyd–Scuseria–Ernzerhof …