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oxygen permeation through graphdiyne membrane
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نویسنده
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rafiei maryam ,maghari ali
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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 permeance of oxygen molecule through monolayer graphdiyne (gdy) by means of density functional theory (dft) calculations. various configurations of oxygen molecule, different sites of gdy, levels of theory and models for the adsorption process have been carried out by the orca program package.
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کلیدواژه
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graphdiyne; membrane; 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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maghari@ut.ac.ir
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Authors
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