14 مرداد 1399
ابراهيم محمدي منش

ابراهیم محمدی منش

مرتبه علمی: استادیار
نشانی: ملایر- کیلومتر 5 جاده اراک- پردیس دانشگاه ملایر- دانشکده علوم- گروه فیزیک
تحصیلات: دکترای تخصصی / فیزیک حالت جامد
تلفن: 081-32355404
دانشکده: علوم پایه

مشخصات پژوهش

عنوان
A theoretical study of ZnO-GS nanosensor to detect H2S at room temperature
نوع پژوهش مقاله چاپ شده
کلیدواژه‌ها
Graphene, Zinc oxide, Hydrogen sulfide, Nanosensor, DFT
سال
2017
مجله MATERIALS CHEMISTRY AND PHYSICS
پژوهشگران ابراهیم محمدی منش

چکیده

In this paper, to detect hydrogen sulfide (H2S) gas. the electronic structure, density of states, charge population analysis and electrical conductivity change at room temperature for Zinc oxide decorated graphene sheets (ZnO-GS) nanostructure were studied in detail. The calculations were performed using Density Functional Theory. The results strongly showed that the ZnO-GS nanostructure could be used as a nanosensor to detect H2S gas at room temperature. Based on this set of calculations, H2S adsorption energy on ZnO-GS showed a significant increase compared to the pure graphene sheets. The electrical conductivity of ZnO-GS was significantly changed at room temperature, after adsorption of H2S. Based on these studies, the ZnO-GS nanosensor can be used to detect H2S. Obtained results are in excellent agreement with reported experimental results.