Institute of Computational and Theoretical Studies
C60 on the Pt(111) surface: Structural tuning of electronic properties
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.
Source Publication Title
Physical Review B - Condensed Matter and Materials Physics
American Physical Society
Link to Publisher's Edition
Shi, X. Q., A. B. Pang, K. L. Man, R. Q. Zhang, C. Minot, M. S. Altman, and M. A. Van Hove. "C60 on the Pt(111) surface: Structural tuning of electronic properties." Physical Review B - Condensed Matter and Materials Physics 84.23 (2011).