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computational study of external electric field effect on the electronic properties of a simple molecular wire
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نویسنده
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safari reza ,hadi hamidi
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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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In this study, external electric field effect (ef) on some of the electronic properties (such as atomic charge/energies, current/voltage curve and molecular cohesive energy) of a simple organic field- effect molecular wire, are studied, using quantum theory of atoms-in- molecules (qtaim) and landauer theory (lt). analysis of the results obtained in this study showed that these proposed field- effect .molecular wire has a suitable response to the applied external electric field (ef)
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کلیدواژه
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.molecular wire; nanoelectronics; qtaim theory; landauer theory; field-effect device; cohesive energy
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آدرس
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, iran, , iran
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پست الکترونیکی
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hadi.ha@fs.lu.ac.ac.ir
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Authors
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