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
Pages
4
From page
103
To page
106
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
Serial Year
1997
Journal title
Applied Surface Science
Record number
991908
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