Simulated structure and imaging of NTCDI on Si(1 1 1)-7 × 7:a combined STM, NC-AFM and DFT study

Jarvis, Samuel P. and Sweetman, Adam M. and Lekkas, I. and Champness, N. R. and Kantorovich, L. and Moriarty, Philip (2014) Simulated structure and imaging of NTCDI on Si(1 1 1)-7 × 7:a combined STM, NC-AFM and DFT study. Journal of Physics: Condensed Matter, 27 (5). ISSN 1361-648X

Full text not available from this repository.

Abstract

The adsorption of naphthalene tetracarboxylic diimide (NTCDI) on Si(1 1 1)-7 × 7 is investigated through a combination of scanning tunnelling microscopy (STM), noncontact atomic force microscopy (NC-AFM) and density functional theory (DFT) calculations. We show that NTCDI adopts multiple planar adsorption geometries on the Si(1 1 1)-7 × 7 surface which can be imaged with intramolecular bond resolution using NC-AFM. DFT calculations reveal adsorption is dominated by covalent bond formation between the molecular oxygen atoms and the surface silicon adatoms. The chemisorption of the molecule is found to induce subtle distortions to the molecular structure, which are observed in NC-AFM images.

Item Type: Journal Article
Journal or Publication Title: Journal of Physics: Condensed Matter
Uncontrolled Keywords: /dk/atira/pure/subjectarea/asjc/3100/3104
Subjects:
Departments: Faculty of Science and Technology > Physics
ID Code: 83454
Deposited By: ep_importer_pure
Deposited On: 06 Dec 2016 09:30
Refereed?: Yes
Published?: Published
Last Modified: 23 Jan 2020 03:41
URI: https://eprints.lancs.ac.uk/id/eprint/83454

Actions (login required)

View Item View Item