• A theoretical approach of the ethanol adsorption on Au(100), Au(110) and Au(111) surfaces 

      Fallaque Najar, Joel; Morales Gomero, Juan Carlos; Timón, Vicente (Elsevier, 2019)
      Acceso restringido
      The adsorption of ethanol on Au(100), Au(110) and Au(111) surfaces was studied using electronic structure calculations under the scheme of the density functional theory (DFT) with van der Waals corrections, vdW-DF2 and PBE ...
    • Adsorption of antipyrine by activated carbons from FeCl3-activation of Tara gum 

      Bedia, Jorge; Belver Coldeira, Carolina; Ponce Álvarez, Silvia; Rodríguez, Juan Martín; Rodríguez, J. J. (Elsevier BV, 2018)
      Acceso restringido
      Activated carbons were synthesized by FeCl3-activation of Tara gum at different temperatures (400–1000 °C). The activating agent and the precursor were physically mixed at different ratios (r= FeCl3:precursor, 0.5–3.0 ...
    • Confined benzene within InOF-1: Contrasting CO2 and SO2 capture behaviours 

      Barrios Vargas, Luz; Ruiz Montoya, José; Landeros Rivera, Bruno; Álvarez, J. Raziel; Alvarado Alvarado, Daniel; Vargas, Rubicelia; Martínez, Ana; González Zamora, Eduardo; Cáceres Montero, Ludy Margarita; Morales Gomero, Juan Carlos; Ibarra, Ilich A. (Royal Society of Chemistry, 2020)
      Acceso restringido
      The confinement of small amounts of benzene in InOF-1 (Bz@InOF-1) shows a contradictory behavior in the capture of CO2 and SO2. While the capture of CO2 is increased 1.6 times, compared to the pristine material, the capture ...