Atomic Scale Investigation of nitrogen doping effects on the structural and electronic properties of Boron Nitride Embedded Armchair Graphene Nanoribbons

سال انتشار: 1396
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 404

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شناسه ملی سند علمی:

ISPTC20_037

تاریخ نمایه سازی: 2 تیر 1397

چکیده مقاله:

We study the electronic and chemical properties of boron nitride embedded armchair graphene nanoribbonsunder nitrogen doping in comparison with pristine graphene armchair nanoribbon and pristine hybrid graphene andboron nitride armchair nanoribbon using the density functional theory method. Two types of nitrogen species wereidentified at the atomic level: pyridinic-N (N bonded to two nearest neighbour atoms) and graphitic-N (N bonded tothree nearest neighbour atoms). Distinct electronic states of localized π states were found to appear in the occupied andunoccupied regions near the Fermi level at the atoms around pyridinic-N and graphitic-N species, respectively. Theresults show that all the mentioned nanoribbons are nonmagnetic direct semiconductors.

نویسندگان

R Habibpour

Department of Chemical technologies, Iranian Research Organization for Science and Technology, Tehran, ۳۳۵۳-۵۱۱۱, Iran