Please use this identifier to cite or link to this item:
|Title:||Naphthalene adsorption on Si(1 1 1)-7 × 7|
Density functional calculations
Scanning tunneling microscopy
|Source:||Yong, K.S., Zhang, Y.P., Yang, S.-W., Xu, G.Q. (2008-06-01). Naphthalene adsorption on Si(1 1 1)-7 × 7. Surface Science 602 (11) : 1921-1927. ScholarBank@NUS Repository. https://doi.org/10.1016/j.susc.2008.03.012|
|Abstract:||The adsorption of naphthalene on Si(1 1 1)-7 × 7 at room temperature was studied using STM and DFT calculations. It is proposed that the major, if not exclusive, binding configuration of the adsorbed naphthalene involves the formation of covalent bonds between two opposite C atoms from one of the rings in naphthalene with an adjacent adatom-rest atom pair on the substrate. Combined data from STM and DFT studies shows that the chemisorption of naphthalene causes an increase in the charge density of the neighboring dangling bond sites that in turn enhance their reactivities with a naphthalene molecule. The faulted center and unfaulted corner adatoms are, respectively, the most and least reactive sites for naphthalene while the relative reactivities of the faulted corner and unfaulted center adatoms exhibit dependence on the naphthalene coverage. © 2008 Elsevier B.V. All rights reserved.|
|Source Title:||Surface Science|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Feb 21, 2018
WEB OF SCIENCETM
checked on Jan 16, 2018
checked on Feb 18, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.