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DFT study of structural and electronic properties of PdO/HZSM-5

DFT study of structural and electronic properties of PdO/HZSM-5

Authors :
Jian-guo Wang
Chang-jun Liu
Zhiping Fang
Yue Liu
Zhongqi Han
Source :
Journal of Physical Chemistry B. Feb 5, 2004, Vol. 108 Issue 5, p1653, 7 p.
Publication Year :
2004

Abstract

A density functional theory (DFT) study is conducted to determine the structural and electronic properties of PdO/HZSM-5 and thereby the relationship between the highly dispersed PdO and the acid sites of zeolites. The study also confirms that there is a close relationship between the acid sites of zeolite and PdO, which is also concluded from EXAFS analyses.

Details

Language :
English
ISSN :
15206106
Volume :
108
Issue :
5
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.123630502