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Computer simulations of sputtering and fragment formation during keV C 60 bombardment of octane and β ‐carotene
Author(s) -
Postawa Zbigniew,
Kanski Michal,
Maciazek Dawid,
Paruch Robert J.,
Garrison Barbara J.
Publication year - 2014
Publication title -
surface and interface analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.52
H-Index - 90
eISSN - 1096-9918
pISSN - 0142-2421
DOI - 10.1002/sia.5550
Subject(s) - fragment (logic) , octane , chemistry , molecule , sputtering , carotene , molecular dynamics , chemical physics , analytical chemistry (journal) , thin film , nanotechnology , organic chemistry , materials science , computational chemistry , computer science , programming language
Molecular dynamics computer simulations are used to investigate material ejection and fragment formation during keV C 60 bombardment of organic solids composed from small (octane) and medium ( β ‐carotene)‐sized organic molecules. Both systems are found to sputter efficiently. For the octane system, material removal occurs predominantly by ejection of intact molecules, whereas fragment emission is a main ejection channel for β ‐carotene. A difference in the molecular dimensions is proposed to explain this observation. Fragment formation is investigated to answer the question why so few fragments remain in the bombarded solid. Copyright © 2014 John Wiley & Sons, Ltd.