Theoretical study of formic acid dehydrogenation and full hydrogenation of acrolein

Qiquan Luo

doi:10.18453/rosdok_id00001202

Qiquan Luo

Theoretical study of formic acid dehydrogenation and full hydrogenation of acrolein

Universität Rostock, 2013

https://doi.org/10.18453/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 Freier Zugang

Titel:

Theoretical study of formic acid dehydrogenation and full hydrogenation of acrolein

Beteiligte Personen:

Qiquan Luo[VerfasserIn]
	1038176794
Haijun Jiao , PD Dr.[AkademischeR BetreuerIn]
	131449311
	Leibniz-Institut für Katalyse e. V., Universität Rostock
Ralf Ludwig , Prof. Dr.[AkademischeR BetreuerIn]
	136437524
	Institut für Chemie, Universität Rostock

Beteiligte Körperschaften:

Universität Rostock, Mathematisch-Naturwissenschaftliche Fakultät[Grad-verleihende Institution]
	2147083-2

Zusammenfassung:

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. [Englisch]

Dokumenttyp:

Dissertation

Einrichtung:

Mathematisch-Naturwissenschaftliche Fakultät

Sprache:

Englisch

Sachgruppe der DNB:

540 Chemie

Veröffentlichung /
Entstehung:

Rostock

Rostock: Universität Rostock

2013