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the effect of edge passivation on the stability and magnetic properties of β12borophene nanoribbon
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نویسنده
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vatankhahan adeleh ,movlarooy tayebeh
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منبع
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پنجمين كنفرانس بينالمللي محاسبات نرم - 1402 - دوره : 5 - پنجمین کنفرانس بینالمللی محاسبات نرم - کد همایش: 02230-29559 - صفحه:0 -0
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چکیده
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We investigate the stability, magnetic and electronic features of pristine zigzag borophene nanoribbons (zbnrs) and those edge-passivated by h and n atoms.the calculations were performed using density functional theory approach. the results show that the stability of the nanoribbon increases by passivating the edges. the magnetic features of borophene nanoribbon are affected by the hanging bond of the edges. hydrogenation can remove the magnetism on the edge, but the passivation by n atoms can increase the magnetic properties. based on the obtained results, we suggest that n-passivated zbnrs are promising candidates in nanospintronic devices
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کلیدواژه
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transport properties
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آدرس
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, iran, , iran
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پست الکترونیکی
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tayebeh.movlarooy@yahoo.com
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Authors
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