Browsing by Subject "Vacancy Defects"

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    • 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 ...