Browsing by Author "Pino Ríos, Ricardo"

Now showing items 1-4 of 4

    • 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 ...
    • Proposal of a simple and effective local reactivity descriptor through a topological analysis of an ... 
      Pino Ríos, Ricardo; Yáñez, Osvaldo; Inostroza, Diego; Ruiz, Lina; Cárdenas Valencia, Carlos; Fuentealba Rosas, Patricio; Tiznado, William (Wiley, 2017)
      The prediction of reactivity is one of the long-standing objectives of chemistry, contributing to enforce the link between theory and experiment. In particular, the regioselectivity of aromatic molecules has motivated the ...
    • Structure prediction using reactivity descriptors 
      Pino Ríos, Ricardo; Yáñez, Osvaldo; Inostroza, Diego; Báez Grez, Rodrigo; Cárdenas Valencia, Carlos Alberto; Tiznado, William (Elsevier, 2023)
      This chapter reviews different approaches proposed to use a local descriptor, the Fukui function, and a global descriptor, the chemical potential, to guide the exploration of the potential energy surface of clusters and ...