Energy window effect in chemisorption of C36 on diamond (001)-(/2×1) surface

Du, A.J., Pan, Z.Y., Ho, Y.K., Wang, Y.X., & Xu, Y. (2001) Energy window effect in chemisorption of C36 on diamond (001)-(/2×1) surface. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 180(1-4), pp. 153-158.

View at publisher


In this paper, the collision of a C36, with D6h symmetry, on diamond (001)-(/2×1) surface was investigated using molecular dynamics (MD) simulation based on the semi-empirical Brenner potential. The incident kinetic energy of the C36 ranges from 20 to 150 eV per cluster. The collision dynamics was investigated as a function of impact energy Ein. The C36 cluster was first impacted towards the center of two dimers with a fixed orientation. It was found that when Ein was lower than 30 eV, C36 bounces off the surface without breaking up. Increasing Ein to 30-45 eV, bonds were formed between C36 and surface dimer atoms, and the adsorbed C36 retained its original free-cluster structure. Around 50-60 eV, the C36 rebounded from the surface with cage defects. Above 70 eV, fragmentation both in the cluster and on the surface was observed. Our simulation supported the experimental findings that during low-energy cluster beam deposition small fullerenes could keep their original structure after adsorption (i.e. the memory effect), if Ein is within a certain range. Furthermore, we found that the energy threshold for chemisorption is sensitive to the orientation of the incident C36 and its impact position on the asymmetric surface.

Impact and interest:

4 citations in Web of Science®
Search Google Scholar™

Citation counts are sourced monthly from Scopus and Web of Science® citation databases.

These databases contain citations from different subsets of available publications and different time periods and thus the citation count from each is usually different. Some works are not in either database and no count is displayed. Scopus includes citations from articles published in 1996 onwards, and Web of Science® generally from 1980 onwards.

Citations counts from the Google Scholar™ indexing service can be viewed at the linked Google Scholar™ search.

ID Code: 61179
Item Type: Journal Article
Refereed: Yes
Keywords: C36 fullerene; Diamond; Molecular dynamic simulation; Chemisorption
DOI: 10.1016/S0168-583X(01)00410-4
ISSN: 0168-583X
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Deposited On: 08 Jul 2013 00:55
Last Modified: 08 Jul 2013 00:55

Export: EndNote | Dublin Core | BibTeX

Repository Staff Only: item control page