English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
Add to Basket
 Local TagsRelease HistoryDetailsSummary
  O2 Adsorption Dynamics at Metal Surfaces: Non-adiabatic Effects, Dissociation and Dissipation

Carbogno, C., Groß, A., Meyer, J., & Reuter, K. (2013). O2 Adsorption Dynamics at Metal Surfaces: Non-adiabatic Effects, Dissociation and Dissipation. In R. Díez Muiño, & H. F. Busnengo (Eds.), Dynamics of Gas-Surface Interactions: Atomic-level Understanding of Scattering Processes at Surfaces (pp. 389-419). Berlin, Heidelberg: Springer.

Item is

 

show all hide all

Basic

show hide
Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0014-BF49-E Version Permalink: https://hdl.handle.net/21.11116/0000-000A-E49E-3
Genre: Book Chapter

Files

show Files
hide Files
:
chap-AG_CC_JM_KR.pdf (Any fulltext), 835KB
 
File Permalink:
-
Name:
chap-AG_CC_JM_KR.pdf
Description:
-
OA-Status:
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
2013
Copyright Info:
Springer
License:
-

Locators

show

Creators

show
hide
 Creators:
Carbogno, Christian1, Author           
Groß, Axel2, Author
Meyer, Jörg3, Author
Reuter, Karsten3, Author           
Affiliations:
1Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
2Institut für Theoretische Chemie, Universität Ulm, D-89069 Ulm, Germany, ou_persistent22              
3Chair for Theoretical Chemistry, Catalysis Research Center, Technische Universität München, ou_persistent22              

Content

show
hide
Free keywords: -
 Abstract: We review recent progress in the theoretical description of the O2 adsorption dynamics at metal surfaces. Intriguing conceptual challenges to a quantitative modeling arise from the spin triplet ground state of the free oxygen molecule, the typically highly corrugated potential energy surfaces (PESs), and the high exothermicity of dissociative adsorption processes. This dictates extensive dynamical simulations (either through direct ab initio molecular dynamics or PES interpolating divide and conquer approaches), an account of electronic non- adiabaticity, as well as heat dissipation channels. We critically discuss the present status of corresponding methodology and the physical insight gained through it, using the oxygen adsorption at Al(111), Pt(111), Pt(211) and Pd(100) as showcases.

Details

show
hide
Language(s): eng - English
 Dates: 2013
 Publication Status: Issued
 Pages: 31
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1007/978-3-642-32955-5_16
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Dynamics of Gas-Surface Interactions: Atomic-level Understanding of Scattering Processes at Surfaces
Source Genre: Book
 Creator(s):
Díez Muiño, Ricardo, Editor
Busnengo, Heriberto Fabio, Editor
Affiliations:
-
Publ. Info: Berlin, Heidelberg : Springer
Pages: - Volume / Issue: - Sequence Number: - Start / End Page: 389 - 419 Identifier: ISBN: 978-3-642-32954-8

Source 2

show
hide
Title: Springer Series in Surface Sciences
Source Genre: Series
 Creator(s):
Ertl, Gerhard, Editor
Lüth, H., Editor
Mills, D. L., Editor
Affiliations:
-
Publ. Info: -
Pages: - Volume / Issue: 50 Sequence Number: - Start / End Page: - Identifier: -