Publications by authors named "Carlos Uriel Mendoza-Dominguez"
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
