Computational and experimental study of low energy Ar<sup>+</sup>bombardment on Nafion

Nafion, a polymer electrolyte membrane of a fuel cell, can be modified by low energy Ar+beam bombardment to increase its interfacial area with a catalyst. Recent experiments indicated that the sputtered sulfonate could lead to a decrease of hydrophilicity of Nafion when bombarded by a low energy Ar+...

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Main Authors: Janchai Yana, Vannajan Sanghiran Lee, Yuttakarn Rattanachai, Prayoon Songsiriritthigul, Min Medhisuwakul, Sornthep Vannarat, Supaporn Dokmaisrijan, Thiraphat Vilaithong, Piyarat Nimmanpipug
Format: Journal
Published: 2018
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http://cmuir.cmu.ac.th/jspui/handle/6653943832/51489
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Institution: Chiang Mai University
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spelling th-cmuir.6653943832-514892018-09-04T06:14:23Z Computational and experimental study of low energy Ar<sup>+</sup>bombardment on Nafion Janchai Yana Vannajan Sanghiran Lee Yuttakarn Rattanachai Prayoon Songsiriritthigul Min Medhisuwakul Sornthep Vannarat Supaporn Dokmaisrijan Thiraphat Vilaithong Piyarat Nimmanpipug Chemistry Materials Science Physics and Astronomy Nafion, a polymer electrolyte membrane of a fuel cell, can be modified by low energy Ar+beam bombardment to increase its interfacial area with a catalyst. Recent experiments indicated that the sputtered sulfonate could lead to a decrease of hydrophilicity of Nafion when bombarded by a low energy Ar+beam. To investigate the surface modification at the atomic level, molecular dynamic (MD) simulations and experiment were carried out. The effects of Ar+at 0.5-3.0keV, and doses in the range of 1014-1015ionscm-2on the damage of the Nafion surface after bombardment were deduced from the simulations. This was assessed through both the chemical and physical changes of the Nafion side chain. The potential dissociation of the CS bond after bombardment was analyzed in terms of the elongated bond population. The percentage of the extended CS bond in the system was calculated to determine the possibility of sulfonate sputtering. Real-time determination of the amount of molecular species defragged under Ar+ion bombardment by quadrupole mass spectroscopy (QMS) was used. The percentage of the amount of potentially broken CS bonds after bombardment derived from MD simulations was found in a correlation with sputtering of SO3-fragments obtained from the experiments. The calculated results confirm the thresholds at 2.0keV as observed in experiment. © 2012 Elsevier B.V. 2018-09-04T06:03:06Z 2018-09-04T06:03:06Z 2012-04-25 Journal 02578972 2-s2.0-84859622943 10.1016/j.surfcoat.2012.02.051 https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84859622943&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/51489
institution Chiang Mai University
building Chiang Mai University Library
country Thailand
collection CMU Intellectual Repository
topic Chemistry
Materials Science
Physics and Astronomy
spellingShingle Chemistry
Materials Science
Physics and Astronomy
Janchai Yana
Vannajan Sanghiran Lee
Yuttakarn Rattanachai
Prayoon Songsiriritthigul
Min Medhisuwakul
Sornthep Vannarat
Supaporn Dokmaisrijan
Thiraphat Vilaithong
Piyarat Nimmanpipug
Computational and experimental study of low energy Ar<sup>+</sup>bombardment on Nafion
description Nafion, a polymer electrolyte membrane of a fuel cell, can be modified by low energy Ar+beam bombardment to increase its interfacial area with a catalyst. Recent experiments indicated that the sputtered sulfonate could lead to a decrease of hydrophilicity of Nafion when bombarded by a low energy Ar+beam. To investigate the surface modification at the atomic level, molecular dynamic (MD) simulations and experiment were carried out. The effects of Ar+at 0.5-3.0keV, and doses in the range of 1014-1015ionscm-2on the damage of the Nafion surface after bombardment were deduced from the simulations. This was assessed through both the chemical and physical changes of the Nafion side chain. The potential dissociation of the CS bond after bombardment was analyzed in terms of the elongated bond population. The percentage of the extended CS bond in the system was calculated to determine the possibility of sulfonate sputtering. Real-time determination of the amount of molecular species defragged under Ar+ion bombardment by quadrupole mass spectroscopy (QMS) was used. The percentage of the amount of potentially broken CS bonds after bombardment derived from MD simulations was found in a correlation with sputtering of SO3-fragments obtained from the experiments. The calculated results confirm the thresholds at 2.0keV as observed in experiment. © 2012 Elsevier B.V.
format Journal
author Janchai Yana
Vannajan Sanghiran Lee
Yuttakarn Rattanachai
Prayoon Songsiriritthigul
Min Medhisuwakul
Sornthep Vannarat
Supaporn Dokmaisrijan
Thiraphat Vilaithong
Piyarat Nimmanpipug
author_facet Janchai Yana
Vannajan Sanghiran Lee
Yuttakarn Rattanachai
Prayoon Songsiriritthigul
Min Medhisuwakul
Sornthep Vannarat
Supaporn Dokmaisrijan
Thiraphat Vilaithong
Piyarat Nimmanpipug
author_sort Janchai Yana
title Computational and experimental study of low energy Ar<sup>+</sup>bombardment on Nafion
title_short Computational and experimental study of low energy Ar<sup>+</sup>bombardment on Nafion
title_full Computational and experimental study of low energy Ar<sup>+</sup>bombardment on Nafion
title_fullStr Computational and experimental study of low energy Ar<sup>+</sup>bombardment on Nafion
title_full_unstemmed Computational and experimental study of low energy Ar<sup>+</sup>bombardment on Nafion
title_sort computational and experimental study of low energy ar<sup>+</sup>bombardment on nafion
publishDate 2018
url https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84859622943&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/51489
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