Chia Nan University of Pharmacy & Science Institutional Repository:Item 310902800/34846
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    標題: The impact of titanium doping upon the sensing capability of ZnO nanosheets in detecting phosgene
    作者: Hsu, Chou-Yi
    Lagum, Abdelmajeed Adam
    Al-Ma'Abreh, Alaa M.
    Saraswat, Shelesh Krishna
    Abd Alkhudhur Salman, Noor
    Bahir, Hala
    Aziz, Qusay Husam
    Islam, Saiful
    貢獻者: Chia Nan Univ Pharm & Sci, Dept Pharm
    Isra Univ, Fac Engn, Dept Civil Engn
    Isra Univ, Fac Sci, Dept Chem
    GLA Univ, Dept Elect & Commun Engn
    Natl Univ Sci & Technol, Coll Dent
    Al Farahidi Univ, Med Tech Coll
    Al Noor Univ Coll, Dept Anesthesia Tech
    King Khalid Univ, Coll Engn, Civil Engn Dept
    關鍵字: Density functional theory
    Sensor
    Phosgene
    Electronic properties
    ZnO nano-sheet
    日期: 2023
    上傳時間: 2024-12-25 11:04:26 (UTC+8)
    出版者: ELSEVIER
    摘要: The impact of doping titanium (Ti) upon the capability of a ZnO nanosheet (ZnO-NS) in detecting phosgene (PHG) was investigated using the density functional B3LYP. There was a weak interaction between the pristine ZnO-NS and PHG with a sensing response of around 9.4. The adsorption energy of PHG increased from-5.5 to-22.8 kcal/mol after a Ti atom was doped on the ZnO-NS. The sensing response increased noticeably to 84.2 after doping the Ti atom. The recovery time was 16.4 s after the desorption of PHG from the surface of Ti-doped ZnO-NS (Ti@ZnO-NS). The results pinpoint to the fact that it is possible to use Ti@ZnO-NS as a suitable sensor to detect PHG with a short response time and high sensitivity.
    關聯: Inorganic Chemistry Communications, v.156, Article 111216
    顯示於類別:[行政單位] 456

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