In this study, using the first-principles method, we theoretically investigated the spin-
dependent transport properties of a phthalocyanine (Pc) molecule, which is sandwiched …

The spin-filter transport and magnetoresistance effects are of particular interest in the field of
molecular spintronics. In this work, based on first-principles quantum transport calculations …

Although a lot of theoretical studies have designed perfect spin filters using
inorganic/organic/organometallic materials, their fabrication methods are not experimentally …

The polycrystalline structures for graphene are practically unavoidable by the currently
existing growth routes, thus the scattering issue of electrons by grain boundary (GBs) …

Spin transport properties of single rhenium phthalocyanine (RePc) and double-rhenium
phthalocyanine (Re 2 Pc 2) molecular devices with gold electrodes have been investigated …

We performed systematic density functional theory calculations to study the structural
stability and magnetic properties of single transition metal adatoms on a WS 2 monolayer. It …

By applying the density functional theory and the nonequilibrium Green's function formalism,
we investigate the spin-polarized transport properties of oligoporphyrin molecule (P 2 TA-O …

The electronic and magnetic properties of one-dimensional polymers of zwitterionic quinone
(ZQ) molecules with 4d and 5d transition metals (TM) are studied using density functional …

The investigation focused on examining the spin polarization and thermal spin polarization
transport characteristics of dual rhenium phthalocyanine (Re2PC2) molecular junctions. This …

By using nonequilibrium Green's functions in combination with the density functional theory,
we investigate the transport properties of the supramolecular spin valves made of ferrocene …