The literature has shown numerous contributions on the synthesis and physicochemical
properties of persistent organic radicals but there are a lesser number of reports about their …

Spintronics, which uses the spin of electrons for information processing, is viewed as one of
the most promising next‐generation information technology with high speed and low energy …

One-dimensional (1D) metalloporphyrin polymers can exhibit magnetism, depending on the
central metal ion and the surrounding ligand field. The possibility of tailoring the magnetic …

Using density functional theory (DFT), we perform a systematic study of the electronic
structure of zigzag edge BNC nanoribbons, which have an equal number of boron, carbon …

Using density functional theory, we investigate TM–cyclopentadienyl–benzene sandwich
molecular wires (SMWs) which are composites of TM–cyclopentadienyl and TM–benzene …

Using ab-initio numerical methods, we explore the spin-dependent transport and
thermoelectric properties of a spin-crossover molecule (ie, iron complex of 2-(1H-pyrazol-1 …

With the purpose of searching for new intriguing nanomaterial for spintronics, a series of
novel metalloporphyrin nanowires (M-PPNW, M= Cr, Mn, Fe, Co, Ni, Cu and Zn) and hybrid …

First-principles calculations have been carried out for the 20-electron transition metal
complexes (Cp) 2TMO and their molecular wires (Cp= C5H5, C5 (CH3) H4, C5 (CH3) 5; …

Controlled spin-state switching in small molecules is of great interest for recent molecular
spintronic and spin-caloritronic applications. The 3d transition metal incorporated porphyrin …

The effect of an external electric field on the geometrical and electronic structures of the
nonsymmetrical dipyrimidinyl− diphenyl (DPDPh) molecule has been investigated using …