TY - JOUR
T1 - NO 2 adsorption on ion exchanged ZSM-5
T2 - A density functional study
AU - Kanougi, Tomonori
AU - Furukawa, Ken Ichi
AU - Yamadaya, Michiyuki
AU - Oumi, Yasunori
AU - Kubo, Momoji
AU - Stirling, Andras
AU - Fahmi, Adil
AU - Miyamoto, Akira
PY - 1997/9
Y1 - 1997/9
N2 - 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 NO 2 are η 1 -N or η 2 -O,O on Cu and Ag, whereas on Co only η 1 -N is found.
AB - 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 NO 2 are η 1 -N or η 2 -O,O on Cu and Ag, whereas on Co only η 1 -N is found.
KW - Adsorption
KW - Density functional study
KW - NO
KW - ZSM-5
UR - http://www.scopus.com/inward/record.url?scp=0031237636&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0031237636&partnerID=8YFLogxK
U2 - 10.1016/S0169-4332(97)00164-5
DO - 10.1016/S0169-4332(97)00164-5
M3 - Article
AN - SCOPUS:0031237636
SN - 0169-4332
VL - 119
SP - 103
EP - 106
JO - Applied Surface Science
JF - Applied Surface Science
IS - 1-2
ER -