شماره ركورد كنفرانس
5328
عنوان مقاله
Adsorption of some monoatomic, diatomic and triatomic gases on graphene
پديدآورندگان
Rafiei Maryam maryam.rafiei@ut.ac.ir Department of Chemistry, Faculty of Science, University of Tehran, Tehran , Namazian Mansoor namazian@yazd.ac.ir Department of Chemistry, Faculty of Science, Yazd University, Yazd,
تعداد صفحه
2
كليدواژه
Graphene , Adsorption , Noble gases , Oxygen , Density functional theory
سال انتشار
1400
عنوان كنفرانس
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
زبان مدرك
انگليسي
چكيده فارسي
The present work aims to study the interaction between He, Ne, Ar, Kr, O2, CO2 and CS2 molecules and monolayer graphene by means of density functional theory (DFT) calculations. In this study, we also include a detailed view on various configurations of approaching gases, different sites of graphene, equilibrium distances, levels of theory and models for the process of adsorption.
كشور
ايران
لينک به اين مدرک