Browsing by Author "Orellana, Walter"

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, ...
    • Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon 
      Vásquez Espinal, Alejandro; Pino Ríos, Ricardo; Fuentealba Rosas, Patricio; Orellana, Walter; Tiznado, William (Elsevier, 2016)
      The purpose of this study is to show that H-2 is easily dissociated on lithium edge decorated carbon systems to form strong C-H and Li-H bonds. This mechanism has not been considered in previous studies where these kinds ...
    • Self-compensation in phosphorus-doped CdTe 
      Flores, Mauricio A.; Orellana, Walter; Menéndez Proupin, Eduardo (American Physical Society, 2017)
      We investigate the self-compensation mechanism in phosphorus-doped CdTe. The formation energies, charge transition levels, and defect states of several P-related point defects susceptible to cause self-compensation are ...