4.6 Article

Dipoles and band alignment for benzene/Au(111) and C60/Au(111) interfaces

Journal

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
Volume 95, Issue 1, Pages 119-124

Publisher

SPRINGER HEIDELBERG
DOI: 10.1007/s00339-008-5010-4

Keywords

-

Funding

  1. Spanish MEyC [NAN-2004-09183-C-10-07, MAT2007-60966]
  2. Comunidad de Madrid, CAM [0505/MAT/0303]
  3. Consejer a de Educacion de la Comunidad de Madrid
  4. Fondo Social Europeo (FSE)
  5. Juan de la Cierva Programme (MCyT)

Ask authors/readers for more resources

A local orbital DFT-approach combined with a scissor-operator is used to obtain the Charge Neutrality Level and the screening parameter in the benzene/Au(111) and C-60/Au(111) interfaces. The pillow dipole and interface Fermi level are also calculated. The total dipole induced across the interface is compared with the experimental evidences: while the agreement for C-60/Au(111) is excellent, for benzene/Au(111), some discrepancies appear that are discussed in the light of other models.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available