TY - JOUR
T1 - Effect of Oxygen Chemistry in Sputtering of Polymers
AU - Kanski, Michal
AU - Garrison, Barbara J.
AU - Postawa, Zbigniew
N1 - Publisher Copyright:
© 2016 American Chemical Society.
PY - 2016/5/5
Y1 - 2016/5/5
N2 - Molecular dynamics computer simulations are used to model kiloelectronvolt cluster bombardment of pure hydrocarbon [polyethylene (PE) and polystyrene (PS)] and oxygen-containing [paraformaldehyde (PFA) and polylactic acid (PLA)] polymers by 20 keV C60 projectiles at a 45°impact angle to investigate the chemical effect of oxygen in the substrate material on the sputtering process. The simulations demonstrate that the presence of oxygen enhances the formation of small molecules such as carbon monoxide, carbon dioxide, water, and various molecules containing Cî-?O double bonds. The explanation for the enhanced small molecule formation is the stability of carbon and oxygen multiple bonds relative to multiple bonds with only carbon atoms. This chemistry is reflected in the fraction of the ejected material that has a mass not higher than 104 amu. For PFA and PLA, the fraction is approximately 90% of the total mass, whereas for PE and PS, it is less than half.
AB - Molecular dynamics computer simulations are used to model kiloelectronvolt cluster bombardment of pure hydrocarbon [polyethylene (PE) and polystyrene (PS)] and oxygen-containing [paraformaldehyde (PFA) and polylactic acid (PLA)] polymers by 20 keV C60 projectiles at a 45°impact angle to investigate the chemical effect of oxygen in the substrate material on the sputtering process. The simulations demonstrate that the presence of oxygen enhances the formation of small molecules such as carbon monoxide, carbon dioxide, water, and various molecules containing Cî-?O double bonds. The explanation for the enhanced small molecule formation is the stability of carbon and oxygen multiple bonds relative to multiple bonds with only carbon atoms. This chemistry is reflected in the fraction of the ejected material that has a mass not higher than 104 amu. For PFA and PLA, the fraction is approximately 90% of the total mass, whereas for PE and PS, it is less than half.
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U2 - 10.1021/acs.jpclett.6b00514
DO - 10.1021/acs.jpclett.6b00514
M3 - Article
C2 - 27063023
AN - SCOPUS:84967211775
SN - 1948-7185
VL - 7
SP - 1559
EP - 1562
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 8
ER -