مشخصات پژوهش

عنوان	Amino-functionalized single-walled carbon nanotubes as a novel adsorbent for aqueous heavy metals removal: DFT study
نوع پژوهش	مقاله ارائه شده کنفرانسی
کلیدواژه‌ها	Heavy Metal Ions, Functionalized Carbon Nanotubes, DFT, Adsorption
چکیده	The removal of toxic heavy metal ions (HMI) from aqueous environment has received considerable attention in recent years [1]. Recently, the removal of HMI using functionalized carbon nanotubes was confirmed through experimental investigations [2]. In this work we have studied theoretically the chemical functionalization of (5,0) zigzag single wall carbon nanotube (F-SWCNT) by ethylene-diamin. Afterwards, we have studied the interaction between F-SWCNT and nickel and chromium ions using density functional theory (DFT) method.
پژوهشگران	فاطمه شاه محمدی بامداد (نفر دوم)، خالد عزیزی (نفر اول)