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Luo,  Qiquan

Theoretical study of formic acid dehydrogenation and full hydrogenation of acrolein

Rostock : Universität , 2013

https://doi.org/10.18453/rosdok_id00001202

http://purl.uni-rostock.de/rosdok/id00001202

Abstract:

This dissertation focused mainly on theoretical study of formic acid (HCOOH) decomposition on the Ni(111), Pd(111), Ni(211), Pd(211), Pt(211) and Mo2C(101) surfaces, since formic acid has been considered as one of potential materials in hydrogen storage and generation. The formate route plays the dominating role in formic acid decomposition; and the rate-determining step is the dissociation of formate into surface CO2 and H. In addition, the Ni(111) surface was also employed to investigate the mechanism of full acrolein hydrogenation.

Dissertation Open Access


Einrichtung :
Mathematisch-Naturwissenschaftliche Fakultät
Gutachter :
Jiao,  Haijun  (PD Dr.)
Ludwig,  Ralf  (Prof. Dr.)
Jahr der Abgabe:
2013
Jahr der Verteidigung:
2013
Sprache(n) :
Englisch
Schlagworte:
density functional theory, reactions on surfaces, catalysis
DDC Klassifikation :
540 Chemie
URN :
urn:nbn:de:gbv:28-diss2013-0115-0
Persistente URL:
http://purl.uni-rostock.de/rosdok/id00001202
erstellt am:
2013-08-22
zuletzt geändert am:
2018-06-30
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