Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Supported nanoclusters: Preadsorbates tuning catalytic activity
 
research article

Supported nanoclusters: Preadsorbates tuning catalytic activity

Sljivancanin, Z.
•
Pasquarello, Alfredo  
2005
Physical Review B

Using a density-functional approach, we investigate the reactivity of supported metal nanoclusters. We focus on the sequential adsorption of N-2 molecules on a Fe nanocluster supported by an MgO substrate. For an increasing number of N atoms preadsorbed on the nanocluster, we found that the binding energy of the N-2 molecule increases, and can become higher than that of its dissociation products, in marked contrast with the behavior at the respective metallic surface. We identify the electrostatic interaction as a primary factor determining this behavior, and discuss the observed trends in terms of interactions with highest occupied and lowest unoccupied molecular orbitals.

  • Details
  • Metrics
Type
research article
DOI
10.1103/PhysRevB.71.081403
Web of Science ID

WOS:000228065300016

Author(s)
Sljivancanin, Z.
Pasquarello, Alfredo  
Date Issued

2005

Published in
Physical Review B
Volume

71

Issue

8

Article Number

081403

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43495
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés