• Fulltext

       

        Click here to view fulltext PDF


      Permanent link:
      https://www.ias.ac.in/article/fulltext/boms/041/01/0004

    • Keywords

       

      ZnO; interaction; ammonia; band structure; density of states.

    • Abstract

       

      ZnO nanowires (NWs) were deposited on a glass substrate by the successive ionic layer adsorption and reactionmethod (SILAR). Sensing response of ZnO NWs towards reducing vapours was tested at ambient temperature ($\sim$32$^{\circ}$C)by the chemiresistor method. The vapour response was found to be 80.2, 1.6, 1.1 and 1.1 for NH$_3$,H$_2$O, (CH$_3$)$_2$CO and C$_2$H$_5$OH, respectively. Also, density functional theory (DFT) calculations were performed to understand the charge transfer and electronic property change during adsorption of molecules over ZnO NW. The band of the Zn 3d state was altered after adsorption and no significant changes were observed in the O2p state.Higher binding energy (14.6 eV) with significant chargetransfer (0.04$|e|$) was observed in the ammonia-adsorbed ZnO NW. On comparing response obtained through experimentaland computational studies, almost a similar trend of response was observed except for the H$_2$O–ZnO system. This was dueto lack of dispersion interaction and steric effect influence in the DFT calculation with the chosen computational methods.

    • Author Affiliations

       

      A NANCY ANNA ANASTHASIYA1 S RAMYA1 D BALAMURUGAN1 P K RAI2 B G JEYAPRAKASH1

      1. Functional Nanomaterials Lab, Centre for Nanotechnology and Advanced Biomaterials (CeNTAB), School of Electrical and Electronics Engineering, SASTRA University, Thanjavur 613401, India
      2. Centre for Fire Explosive and Environment Safety, Defence Research and Development Organisation, Ministry of Defence, Timarpur, Delhi 110054, India
    • Dates

       
  • Bulletin of Materials Science | News

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2017-2019 Indian Academy of Sciences, Bengaluru.