Computer simulations of sputtering and fragment formation during keV C 60  bombardment of octane and  β ‐carotene | Zendy

Postawa Zbigniew | Zendy; Kanski Michal | Zendy; Maciazek Dawid | Zendy; Paruch Robert J. | Zendy; Garrison Barbara J. | Zendy

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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.

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