Browsing by Author "Aracena, Andres"

Now showing 1 - 2 of 2
  • No Thumbnail Available
    Item
    New Benzotrithiophene-Based Molecules as Organic P-Type Semiconductor for Small-Molecule Organic Solar Cells
    (2023) Castillo, Cristian; Aracena, Andres; Ballesteros, Luis; Neculqueo, Gloria; Gence, Loik; Quero, Franck
    A new benzotrithiophene-based small molecule, namely 2,5,8-Tris[5-(2,2-dicyanovinyl)-2-thienyl]-benzo[1,2-b:3,4-b ':6,5-b '']-trithiophene (DCVT-BTT), was successfully synthesized and subsequently characterized. This compound was found to present an intense absorption band at a wavelength position of similar to 544 nm and displayed potentially relevant optoelectronic properties for photovoltaic devices. Theoretical studies demonstrated an interesting behavior of charge transport as electron donor (hole-transporting) active material for heterojunction cells. A preliminary study of small-molecule organic solar cells based on DCVT-BTT (as the P-type organic semiconductor) and phenyl-C61-butyric acid methyl ester (as the N-type organic semiconductor) exhibited a power conversion efficiency of 2.04% at a donor: acceptor weight ratio of 1:1.
  • Thumbnail Image
    Item
    Solvatochromism and electrophilicity
    (ELSEVIER SCIENCE BV, 2011) Caroli Rezende, Marcos; Dominguez, Moises; Aracena, Andres; Millan, Daniela
    Solvatochromic dyes that exhibit a negative or a positive behaviour may be distinguished and their solvatochromism predicted with the aid of DFT-based indices, such as their electrophilicity omega, hardness eta and by the Fukui electrophilic functions f(G)(+) of the donor and acceptor moieties of the molecule, calculated in the gas-phase and in solvents treated as polarised continua. The protocol was successfully applied to 10 examples of phenolate betaines from the literature, five of them exhibiting a negative and five a positive solvatochromism. (C) 2011 Elsevier B.V. All rights reserved.