About CO and H2 activation mechanisms on Fe and Mo2C catalysts on the basis of density
functional theory computation and Ab initio atomistic thermodynamics
Wang, Tao
1986-
aut
text
theses
Text
Hochschulschrift
gw
2015
monographic
XA-DE
2015
eng
text/html
application/pdf
Online-Ressource Ill., graph. Darst.
This thesis mainly focuses on theoretical investigations of CO and H2 activation on the surfaces of iron and molybdenum carbide (Mo2C) catalysts, which have been used in Fischer-Tropsch synthesis and alcohol synthesis. On the iron surfaces, H2 adsorption is dissociative while CO adsorption states are coverage dependent. For the Mo2C catalysts, the stabilities and compositions of the surfaces are found to be highly dependent on the carburization conditions. Such differences in surface structures result in their distinct CO and H2 activation activities.
vorgelegt von Tao Wang
Enth. 7 Beitr. aus versch. Ztschr
Rostock, Univ., Mathematisch-Naturwiss. Fak., Diss., 2015
546.621595
662.66
546.5342
540 660
35.21
http://rosdok.uni-rostock.de/resolve?urn=urn:nbn:de:gbv:28-diss2015-0140-8
http://rosdok.uni-rostock.de/resolve?urn=urn:nbn:de:gbv:28-diss2015-0140-8&pdf
http://nbn-resolving.de/urn:nbn:de:gbv:28-diss2015-0140-8
About CO and H2 activation mechanisms on Fe and Mo2C catalysts on the basis of density
2015
Druck-Ausgabe
(DE-627)829596607
Wang, Tao, 1986 -
urn:nbn:de:gbv:28-diss2015-0140-8
935898964
rakwb
DE-627
150811
833007491
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