Browsing by Subject "Adsorption properties"

Now showing items 1-2 of 2

    • Large CO2 uptake on a monolayer of CaO 

      Berdiyorov G.R.; Neek-Amal M.; Hussein I.A.; Madjet M.E.; Peeters F.M. ( Royal Society of Chemistry , 2017 , Article)
      Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong ...

    • The effect of vacancy defects on the adsorption of methane on calcite 104 surface 

      Berdiyorov G.R.; Elbashier E.; Carchini G.; Hussein I.A.; Sakhaee-Pour A. ( Elsevier Editora Ltda , 2021 , Article)
      Density functional theory calculations are used to study the effect of vacancy defects (ionic Ca and charge neutral CO3) on the adsorption properties of CH4 molecule on different calcite surfaces. Both types of vacancy ...