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density functional theory study of formamide adsorption on the pristine (8,0)carbontube
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نویسنده
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ghaffari marjan ,mohammadi-manesha hossein ,kalantari fotoohb forough
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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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Adsorption of formamide (hconh2,fm) molecule on (8,0) single-walled carbon nanotube (swcnt) was studied by density functional theory (dft) method. the fm molecule was adsorbed from the oxygen side on c1 atom of nanotube and its geometric structure and electronic properties before and after fm adsorption were investigated
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کلیدواژه
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density functional theory; swcnt ; hconh2 adsorption; electronic structure
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آدرس
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, iran, , iran, , iran
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پست الکترونیکی
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f_kalantari_f@iauyazd.ac.ir
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Authors
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