کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5349818 1503625 2015 42 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Adsorption of Pb(II) on the kaolinite(0 0 1) surface in aqueous system: A DFT approach
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Adsorption of Pb(II) on the kaolinite(0 0 1) surface in aqueous system: A DFT approach
چکیده انگلیسی

- Adsorption of Pb(II) on the kaolinite(0 0 1) surface was investigated by DFT.
- Complexation of water molecules with Pb(II) was considered for adsorption complex.
- Binding energy was calculated based on the deprotonation of surface OH groups.
- Complex structure, preferred adsorption position and adsorption type were solved.
- Antibonding state filling was found involved in the PbO interaction.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 339, 1 June 2015, Pages 28-35
نویسندگان
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