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

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.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0010-506C-5 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0010-506E-1
Genre: Journal Article

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 Creators:
Bagus, Paul S.1, Author
Wieckowski, Andrzej2, Author
Freund, Hans-Joachim3, Author           
Affiliations:
1Department of Chemistry, University of North Texas, Denton, TX 76203-5017, USA, ou_24022              
2Department of Chemistry and Frederick Seitz Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, ou_persistent22              
3Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              

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Free keywords: Nanoparticles; XPS; BE shifts; Lattice strain
 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.

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Language(s): eng - English
 Dates: 2011-03-112011-06-222011-07-052012-05-01
 Publication Status: Issued
 Pages: 3
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/j.comptc.2011.06.028
 Degree: -

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Title: Computational and theoretical chemistry
  Other : Computational & theoretical chemistry
Source Genre: Journal
 Creator(s):
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Publ. Info: Amsterdam [u.a.] : Elsevier
Pages: - Volume / Issue: 987 Sequence Number: - Start / End Page: 22 - 24 Identifier: CoNE: https://pure.mpg.de/cone/journals/resource/2210-271X