Open AccessBehavior of critical nuclei of pentacene formed on a substrate surface based on the results of molecular dynamics simulations
Author(s) -
Susumu Ikeda
Publication year - 2020
Publication title -
japanese journal of applied physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.487
H-Index - 129
eISSN - 1347-4065
pISSN - 0021-4922
DOI - 10.35848/1347-4065/abc459
Subject(s) - pentacene , molecular dynamics , chemical physics , molecule , substrate (aquarium) , nucleus , materials science , dynamics (music) , chemistry , physics , nanotechnology , computational chemistry , organic chemistry , oceanography , geology , microbiology and biotechnology , layer (electronics) , acoustics , biology , thin film transistor
In the author’s last paper [Ikeda, Appl. Phys. Express 13 , 015508 (2020)], it was suggested that the number of molecules that constitute a critical nucleus of pentacene is about ten based on the results of molecular dynamics (MD) simulations performed to investigate the stability of clusters comprising standing pentacene molecules on substrate surfaces. In this study, the author carried out additional MD simulations of clusters comprising ten pentacene molecules and found that these molecular clusters of critical size show stochastic behavior, which can be understood based on curves of free energy change. The discrepancy in the number of molecules that constitute a critical nucleus of pentacene between previous reports and this study is also discussed.