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adsorption of some monoatomic, diatomic and triatomic gases on graphene
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نویسنده
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rafiei maryam ,namazian mansoor
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منبع
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بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران - 1400 - دوره : 23 - بیست و سومین کنفرانس شیمی فیزیک انجمن شیمی ایران - کد همایش: 00210-50174 - صفحه:0 -0
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چکیده
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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.
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کلیدواژه
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graphene; adsorption; noble gases; oxygen; density functional theory
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آدرس
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, iran, , iran
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پست الکترونیکی
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namazian@yazd.ac.ir
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Authors
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