http://dx.doi.org/10.1103/PhysRevB.84.235406">
 

Document Type

Journal Article

Department/Unit

Institute of Computational and Theoretical Studies

Title

C60 on the Pt(111) surface: Structural tuning of electronic properties

Language

English

Abstract

The structure and electronic properties of the (√13×√13) R13.9 - and (2√3×2√3)R30 - ordered phases of C 60 on the Pt(111) surface are investigated using combined dynamic low-energy electron diffraction and density functional theory (DFT) calculations. The two phases have the same local adsorption structure, while they are predicted by DFT calculations to exhibit very different electronic structures due to their different inter-C 60 orientations and distances. This result demonstrates the structural tuning of electronic properties for molecular films or junctions composed of the same materials. © 2011 American Physical Society.

Publication Date

2011

Source Publication Title

Physical Review B - Condensed Matter and Materials Physics

Volume

84

Issue

23

Publisher

American Physical Society

ISSN (print)

10980121

ISSN (electronic)

1550235X

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