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Effects of Temperature and Chain Length on the Nanoscale Islands of Alkanethiol Monolayers
Author(s) -
Saha Joyanta K.,
Sannyal Arindam,
Khan Sharif Md.,
Jang Joonkyung
Publication year - 2017
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.11170
Subject(s) - nanoscopic scale , monolayer , alkyl , molecular dynamics , materials science , nanolithography , chemical physics , thermal stability , tilt (camera) , nanotechnology , crystallography , chemistry , computational chemistry , fabrication , organic chemistry , geometry , medicine , alternative medicine , mathematics , pathology
The thermal effect on the stability of nanoscale islands of alkanethiols on a gold (111) surface was examined using molecular dynamics simulation. To examine the chain length and temperature dependence, islands made of alkanethiols containing 16, 20, and 24 carbon atoms were simulated at 313–343 K. By analyzing the tilt angle, conformation, orientational order, and backbone plane orientation of alkyl chains, the minimum diameters for stable islands made of 1‐hexadecanethiol, 1‐ecosanethiol, and 1‐tetracosanethiol were determined for different temperatures (313–343 K). These results provide a useful guideline for patterning nanopatterns of thiol by soft nanolithography.