de.mpg.escidoc.pubman.appbase.FacesBean
English
 
Help Guide Disclaimer Contact us Login
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

The contribution of lattice strain to core-level binding energy shifts in metal nanoparticles: Generality and origin of the shifts

MPS-Authors
http://pubman.mpdl.mpg.de/cone/persons/resource/persons21524

Freund,  Hans-Joachim
Chemical Physics, Fritz Haber Institute, Max Planck Society;

Locator
There are no locators available
Fulltext (public)
There are no public fulltexts available
Supplementary Material (public)
There is no public supplementary material available
Citation

Bagus, P. S., Wieckowski, A., & Freund, H.-J. (2012). The contribution of lattice strain to core-level binding energy shifts in metal nanoparticles: Generality and origin of the shifts. Computational and theoretical chemistry, 987, 22-24. doi:10.1016/j.comptc.2011.06.028.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0010-506C-5
Abstract
Changes of the inter-atomic distances, described as lattice strain, make important, initial state, contributions to the shifts of core-level binding energies, ΔBE’s, of supported nano-particles as the size of the particles changes. In the present paper, we consider how the BE shifts due to lattice strain vary for the 3d, 4d, and 5d noble metals, Cu, Ag, and Au. We identify and discuss two important but cancelling mechanisms that contribute to the total BE shifts. We predict and explain why the ΔBE will be larger for 3d series metals than for those of the 4d and 5d series.