Oxygen reduction reaction (ORR) is an important process involved in natural and artificial
energy conversion schemes. As inspired by cytochrome c oxidases (CcOs), which are …

The active control of a molecular spin represents one of the main challenges in molecular
spintronics. Up to now spin manipulation has been achieved through the modification of the …

Due to its unique magnetic properties offered by the open‐shell electronic structure of the
central metal ion, and for being an effective catalyst in a wide variety of reactions, iron …

Mastering the magnetic response of molecular spin interfaces by tuning the occupancy of
the molecular orbitals, which carry the spin magnetic moment, can be accomplished by …

We propose a method to grow metal tetraphenyl porphyrin (MTPP) molecular layers where a
long-range structural and magnetic order can be achieved simultaneously and at room …

Dioxygen adsorbs in the end-on configuration on-top of the Fe atoms of an iron
phthalocyanine monolayer supported on Ag (100) and is partly cleaved at room temperature …

Our study employs first principles to explore the impact of spin on iron phthalocyanine
(molecule) upon adsorption onto defect-functionalized CrI 3. We focus on three stable …

The structural, electronic, and spectroscopic properties of high-and intermediate-spin
transition metal phthalocyaninato complexes (MPc; M= V, Cr, Mn and Fe) have been …

L2, 3-edges absorption spectra of FePc (I) and FePc (η2-O2)(II) on Ag (110) have been
modelled using the DFT/ROCIS method. Despite disregarding the presence of the substrate …

Fe-Phthalocyanine (FePc) is a planar molecule made of an organic cage (pyrrole and
benzene) and a central iron metal. The organic ligand permits to anchor the molecule on …