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Molecular magnets and surfaces: A promising marriage. A DFT insight
A survey about the characterization of molecular magnets adsorbed on surfaces by density
functional methods studied in our laboratory is presented. Several computational issues …
functional methods studied in our laboratory is presented. Several computational issues …
Quantum dynamics of a single molecule magnet on superconducting Pb (111)
Magnetic materials interfaced with superconductors may reveal new physical phenomena
with potential for quantum technologies. The use of molecules as magnetic components has …
with potential for quantum technologies. The use of molecules as magnetic components has …
Propeller‐Shaped Fe4 and Fe3M Molecular Nanomagnets: A Journey from Crystals to Addressable Single Molecules
This Microreview covers the preparation and investigation of Fe4 and Fe3M complexes with
a propeller‐like structure, most of which function as single‐molecule magnets (SMMs). The …
a propeller‐like structure, most of which function as single‐molecule magnets (SMMs). The …
Magnetic Bistability in a Submonolayer of Sublimated Fe4 Single-Molecule Magnets
We demonstrate that Fe4 molecules can be deposited on gold by thermal sublimation in
ultra-high vacuum with retention of single molecule magnet behavior. A magnetic hysteresis …
ultra-high vacuum with retention of single molecule magnet behavior. A magnetic hysteresis …
Magnetic fingerprint of individual Fe4 molecular magnets under compression by a scanning tunnelling microscope
Single-molecule magnets (SMMs) present a promising avenue to develop spintronic
technologies. Addressing individual molecules with electrical leads in SMM-based …
technologies. Addressing individual molecules with electrical leads in SMM-based …
Assembling Fe 4 single-molecule magnets on a TiO 2 monolayer
The decoration of technologically relevant surfaces, such as metal oxides, with Single-
Molecule Magnets (SMMs) constitutes a persistent challenge for the integration of these …
Molecule Magnets (SMMs) constitutes a persistent challenge for the integration of these …
Magnetic anisotropy on demand exploiting high-pressure as remote control: an ab initio proof of concept
Lanthanide based single molecule magnets have recently become very promising systems
for creating single molecule devices working at high temperatures (nitrogen boiling …
for creating single molecule devices working at high temperatures (nitrogen boiling …
Accurate prediction of pressure and temperature T 1/2 variation in solid state spin crossover by ab initio methods: the [Co II (dpzca) 2] case
L Bondì, S Brooker, F Totti - Journal of Materials Chemistry C, 2021 - pubs.rsc.org
The spin crossover (SCO) phenomenon is among the most complicated second-order
transitions to be modelled from first principles. Some ad hoc strategies have been successful …
transitions to be modelled from first principles. Some ad hoc strategies have been successful …
Single molecule magnets grafted on gold: magnetic properties from ab initio molecular dynamics
The computational characterization of the single molecule magnet (SMM)[Fe4 (AcS (CH2)
5C (CH2O) 3) 2 (dpm) 6](Fe4C5) with Ac= CH3CO and Hdpm= dipivaloylmethane, grafted …
5C (CH2O) 3) 2 (dpm) 6](Fe4C5) with Ac= CH3CO and Hdpm= dipivaloylmethane, grafted …
Chiral Co3Y Propeller-Shaped Chemosensory Platforms Based on 19F-NMR
G Audsley, H Carpenter, NB Essien… - Inorganic …, 2023 - ACS Publications
Two propeller-shaped chiral CoIII3YIII complexes built from fluorinated ligands are
synthesized and characterized by single-crystal X-ray diffraction (SXRD), IR, UV–vis, circular …
synthesized and characterized by single-crystal X-ray diffraction (SXRD), IR, UV–vis, circular …