Title of article :
NO2 adsorption on ion exchanged ZSM-5: a density functional study
Author/Authors :
Tomonori Kanougi، نويسنده , ,
Ken-ichi Furukawa، نويسنده , ,
Michiyuki Yamadaya، نويسنده , , Yasunori Oumi، نويسنده , , Momoji Kubo ، نويسنده , ,
Andras Stirling، نويسنده , ,
Adil Fahmi، نويسنده , , Akira Miyamoto
، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1997
Abstract :
We selected Ga, In, Cu, Ag, and Co as exchange cations and performed molecular dynamics (MD) calculation to determine framework structures. For Ga-, Cu- and Co-ZSM-5, the cations are coordinated to two framework oxygens whereas for In and Ag-ZSM-5 the cations are doubly- and triply-coordinated. Adsorption modes of NO2 are η1-N or η2-O,O on Cu and Ag, whereas on Co only η1-N is found.
Keywords :
NO2 , ZSM-5 , Density functional study , Adsorption
Journal title :
Applied Surface Science
Journal title :
Applied Surface Science
