ZIB

Treffer pro Seite

Treffer 1 - 1 | 1 Treffer

Alles auswählen Exportieren

Digitale Medien

A first principles study of methanol decomposition on Pd(111): Mechanisms for O–H bond scission and C–O bond scission (2001)

Zhang, C. J. ; Hu, P.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 115 (2001), S. 7182-7186

zur Merkliste hinzufügen auf der Merkliste

Details

ISSN: 1089-7690

Quelle: AIP Digital Archive

Thema: Physik , Chemie und Pharmazie

Notizen: There is some dispute as to whether methanol decomposition occurs by O–H bond scission or C–O bond scission. By carrying out density functional theory calculations, we investigate both scenario of the reaction pathways of methanol decomposition on a Pd(111) surface. It is shown that the O–H bond scission pathway is much more energetically favorable than the C–O bond scission pathway. The high reaction barrier in the latter case is found to be due to the poor bonding abilities of CH3 and OH with the surface at the reaction sites. © 2001 American Institute of Physics.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1063/1.1405157

Bibliothek	Standort	Signatur	Band/Heft/Jahr	Verfügbarkeit

Andere fanden auch interessant ...

Artikel (Nationallizenzen)

Volltext

Treffer 1 - 1 | 1 Treffer