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Theoretical investigation of the nitrous oxide decomposition over iron zeolite catalysts
Citation Link: https://doi.org/10.15480/882.70
Other Titles
Theoretische Untersuchung über den Zerfall von Stickoxid über Eisen-Zeolith-Katalysatoren
Publikationstyp
Doctoral Thesis
Date Issued
2005
Sprache
English
Author(s)
Advisor
Keil, Frerich J.
Title Granting Institution
Technische Universität Hamburg
Place of Title Granting Institution
Hamburg
Examination Date
2005-12-19
Institut
TORE-DOI
Using density functional theory, the nitrous oxide decomposition over iron zeolite catalysts was studied in the presence and absence of nitric oxide on a molecular level. A reaction network, including rate parameters calculated from first principles, was determined that explains virtually all experimental data. Highly efficient algorithms for finding transition states in chemical reactions have been developed.
Subjects
nitrous oxide
decomposition
iron zeolite catalyst
density functional theory
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diss_heyden.pdf
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