Publications by authors named "Carlos U Mendoza-Dominguez"
Article Synopsis
- Rare earth bisphthalocyanines (MPc) are studied for their properties as single-molecular magnets, which can be useful in molecular spintronics and quantum computing.
- Current synthesis methods for MPc focus on substituted phthalocyanines and often generate byproducts that affect yields, with two main routes being from phthalonitrile or metalating phthalocyanine precursors.
- This research introduced a new solvothermal synthesis method that successfully produced high yields of unsubstituted bisphthalocyanines for yttrium, lanthanum, gadolinium, and terbium, with thorough characterization confirming the quality of the resulting complexes.
Article Synopsis
- The paper investigates how lanthanide double-decker phthalocyanines (LnPc) interact with different models of single-walled carbon nanotubes (SWCNTs), specifically examining structural and electronic changes upon adsorption.
- Density functional theory (DFT) calculations reveal that the height of the LnPc complexes when attached to the nanotubes varies significantly based on the type of nanotube (armchair vs. zigzag) and the specific lanthanide used (La, Gd, or Lu).
- Results also show that the energy gap (HOMO-LUMO gap) is influenced by both the nature of the lanthanide and the chirality of the nanotube, with distinct behaviors observed in spin density distribution during
