Browsing by Author "Contreras García, Julia"

Now showing items 1-3 of 3

    • Cluster assembled silicon-lithium nanostructures: a nanowire confined inside a carbon nanotube 
      Orellana, Walter; Pino Ríos, Ricardo; Yánez, Osvaldo; Vásquez Espinal, Alejandro; Peccati, Francesca; Contreras García, Julia; Cárdenas, Carlos; Tiznado, William (Frontiers Media, 2021)
      We computationally explore an alternative to stabilize one-dimensional (1D) silicon-lithium nanowires (NWs). The Li12Si9 Zintl phase exhibits the NW 1 ∞[Li6Si5], combined with Y-shaped Si4 structures. Interestingly, ...
    • Designing boron and metal complexes for fluoride recognition: a computational perspective 
      Pereira Orenha, Renato; Peixoto, Leticia Bermudes; Caramori, Giovanni Finoto; Piotrowski, Mauricio Jeomar; Araujo Batista, Krys Elly de; Contreras García, Julia; Cárdenas Valencia, Carlos Alberto; Morgon, Nelson Henrique; Mendizábal Emaldia, Fernando Javier; Tame Parreira, Renato Luis (Royal Soc. Chemistry, 2021)
      Fluoride anions (F-) may have beneficial or harmful effects on the environment depending on their concentration. Here, we shed light on F- recognition by compounds containing boron, tellurium and antimony, which were ...
    • Understanding topological insulators in real space 
      Pendás, Ángel Martín; Muñoz Sáez, Francisco Javier; Cárdenas Valencia, Carlos Alberto; Contreras García, Julia (MDPI, 2021)
      A real space understanding of the Su-Schrieffer-Heeger model of polyacetylene is introduced thanks to delocalization indices defined within the quantum theory of atoms in molecules. This approach enables to go beyond the ...