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Title: Electrospun polyacrylonitrile (PAN) nanofiber: preparation, experimental characterization, organic vapor sensing ability and theoretical simulations of binding energies
Authors: İnce Yardımcı, Atike
Yağmurcukardeş, Nesli
Yağmurcukardeş, Mehmet
Çapan, İnci
Erdoğan, Matem
Çapan, Rıfat
Tarhan, Özgür
Açıkbaş, Yaser
Uşak Üniversitesi
Uşak Üniversitesi
Izmir Institute of Technology
Balıkesir Üniversitesi
Balıkesir Üniversitesi
Balıkesir Üniversitesi
Uşak Üniversitesi
Uşak Üniversitesi
Keywords: Chemical sensor
Density functional theory
Issue Date: Mar-2022
Publisher: Springer
Abstract: In this study, polyacrilonitrile (PAN) nanofibers obtained by electrospinning were directly coated on the surface of a quartz crystal microbalance (QCM) and were investigated for their sensing characteristics against chloroform, dichloromethane and carbon tetrachloride as volatile organic compounds (VOCs). PAN nanofibers were characterized by SEM, DSC, Raman Spectroscopy, and FT-IR and the results indicated that beadless and regular nanofibers with the average diameter of 182.7 ± 32 nm were obtained. Kinetic measurements indicated that electrospun PAN nanofibers were sensitive to the VOCs and they were appropriate for sensing applications of chlorine compounds. The reproducibility of PAN nanofiber sensor was also shown in this study. The results revealed that the diffusion coefficients of VOCs increased with the order carbontetrachloride < dichloromethane < chloroform which was supported by the density functional theory (DFT) simulations that revealed the highest binding energy for chloroform.
Description: İzmir Institute of Technology Material Research Center
Appears in Collections:Photonics / Fotonik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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