Journal article
Molecules for organic electronics studied one by one.
- Abstract:
- The electronic and geometrical structure of single difluoro-bora-1,3,5,7-tetraphenyl-aza-dipyrromethene (aza-BODIPY) molecules adsorbed on the Au(111) surface is investigated by low temperature scanning tunneling microscopy and spectroscopy in conjunction with ab initio density functional theory simulations of the density of states and of the interaction with the substrate. Our DFT calculations indicate that the aza-bodipy molecule forms a chemical bond with the Au(111) substrate, with distortion of the molecular geometry and significant charge transfer between the molecule and the substrate. Nevertheless, most likely due to the low corrugation of the Au(111) surface, diffusion of the molecule is observed for applied bias in excess of 1 V.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
Actions
Authors
+ Bundesministerium für Bildung und Forschung
More from this funder
- Funding agency for:
- Riede, M
- Grant:
- 03IP602
- Publisher:
- Royal Society of Chemistry
- Journal:
- Physical chemistry chemical physics : PCCP More from this journal
- Volume:
- 13
- Issue:
- 32
- Pages:
- 14421-14426
- Publication date:
- 2011-08-01
- DOI:
- EISSN:
-
1463-9084
- ISSN:
-
1463-9076
- Language:
-
English
- Keywords:
- Pubs id:
-
pubs:403012
- UUID:
-
uuid:cae833bc-64a5-4183-96d9-02d918419269
- Local pid:
-
pubs:403012
- Source identifiers:
-
403012
- Deposit date:
-
2013-09-26
Terms of use
- Copyright holder:
- The Owner Societies
- Copyright date:
- 2011
- Notes:
- This journal is © the Owner Societies 2011. The full text of this article is not available in ORA. You may be able to access the article via the publisher copy link above.
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