• 文献标题:   Fluoro-functionalized graphene as a promising nanosensor in detection of fish spoilage: A theoretical study
  • 文献类型:   Article
  • 作  者:   ROUHANI M
  • 作者关键词:   fluorographene, sensor, dft, computational, ammonia, spoilage
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Islamic Azad Univ
  • 被引频次:   6
  • DOI:   10.1016/j.cplett.2019.02.001
  • 出版年:   2019

▎ 摘  要

Detection of ammonia and simple amine species such as methylamine (CH3NH2), dimethylamine ((CH3)(2)NH) and trimethylamine ((CH3)(3)N) is very important due to their industrial origin. This work details an evaluation on whether the fluorographene is a good candidate to sense the existence ammonia and simple amines for detection of fish spoilage? In order to achieve accurate data, the various interaction positions between the gaseous molecules, graphene and fluorographene sheets were studied. Furthermore, the electronic density of states (DOS plots) demonstrated that fluorographene sheet realizes the existence of NH3, CH3NH2, (CH3)(2)NH and (CH3)(3)N species with a more obvious signal (Delta E-g = 0.036, 0.0308, 0.0499 and 0.0191 eV) compared to the graphene sheet (Delta E-g = 0.0015, 0.0006, 0.0041 and 0.0022 eV). So, gained results demonstrates that the fluorographene can be applied as a bioelectronics nose in the various food spoilage sensors especially in detectors of the fish spoilage.