We report on the fabrication, characterization, and microthermometry application of high-
quality, nanometric thin films, with thicknesses in the range 20–200 nm, of the molecular …

Among the different types of switchable molecular compounds, sublimable Fe (II) SCO
molecules provide a suitable platform to develop smart devices that respond to external …

Chemistry offers a multitude of opportunities towards harnessing functional molecular
materials with application propensity. One emerging area of interest is molecular spintronics …

Different strategies have been proposed to trigger the spin switching in single-molecule
junctions based on spin-crossover complexes. Here, we report on a computational study …

Within the Coulomb blockade regime, our study delves into the charge, spin, and
thermoelectric transport characteristics of a benzene-based molecular nano-junction using …

Single‐molecule junctions exploit the internal structure of molecular orbitals to construct a
new class of functional quantum devices. The demonstration of negative differential …

Multifunctional tunnel junction is a kind of electronic device and the emergence of van der
Waals (vdW) materials provides a promising opportunity for the development of …

We present a complete computational study devoted to the deposition of a magnetic
binuclear complex on a metallic surface, aimed to obtain insight into the interaction of …

We investigate the interaction between a Fe (II) spin-crossover molecule and a two-
dimensional (2D) substrate. Using density functional theory combined with molecular …

This study presents a detailed computational analysis of the DCV5T-Me molecule to
evaluate its potential for organic photovoltaic (OPV) applications. The optimized geometry …