講演情報
[18a-A35-6]Engineering MoSe2 Defects via SHI Irradiation for Improved NH3 Gas Sensing: A DFT Study
〇(DC)Aditya Kushwaha1, Shalini Vardhan1, Neeraj Goel1 (1.Netaji Subhas University of Technology, Dwarka, Sector - 3, Delhi - 110078, India)
キーワード：
2D Materials、Swift Heavy Ions (SHI) Irradiation、Gas Sensing
Gas sensors are crucial for safety, air quality monitoring, industrial processes, and emission control. Ammonia (NH3), common in agriculture and industry, is toxic and requires real-time monitoring beyond unreliable odor detection. Swift Heavy Ion (SHI) irradiation enhances two-dimensional (2D) transition metal dichalcogenide (TMD) nanomaterial-based gas sensors, improving sensitivity, selectivity, response time, recovery, stability, and power efficiency. This study employs density functional theory (DFT) to compare NH3 sensing in pristine MoSe2 and SHI-modified MoSe2 with selenium (Se-VAC) and molybdenum (Mo-VAC) vacancies. SHI irradiation causes defects in MoSe2 through elastic collisions (Sn) and electronic excitations (Se). NH3, an electron donor, transfers electrons to MoSe2. SHI-modified MoSe2, with abundant Se-VAC and Mo-VAC sites, shows enhanced NH3 sensing capabilities. Se-VAC, in particular, demonstrates superior NH3 sensitivity compared to pristine MoSe2 and Mo-VAC.
コメント
コメントの閲覧・投稿にはログインが必要です。ログイン