학술논문
Density functional study on the interaction of a polycyclic aromatic molecule and the silicon (001) surface
Document Type
Academic Journal
Author
Source
Journal of Physical Chemistry B. July 29, 2004, Vol. 108 Issue 30, p10881, 6 p.
Subject
Language
English
ISSN
1520-6106
Abstract
A study is conducted to investigate the reaction of acenaphthylene (ACN) with the Si(001) surface is explored by means of density functional cluster model calculations. The findings indicate that also kinetics factors contribute to the high selectivity of the adsorption process and are consistent with recent experimental data, evidencing that ACN binds to the Si(001) surface through the 1,2-alkene unit.