Barrier-free substitutional doping of graphene sheets with boron atoms:Ab initiocalculations
نویسندگان
چکیده
منابع مشابه
Atomically controlled substitutional boron-doping of graphene nanoribbons
Boron is a unique element in terms of electron deficiency and Lewis acidity. Incorporation of boron atoms into an aromatic carbon framework offers a wide variety of functionality. However, the intrinsic instability of organoboron compounds against moisture and oxygen has delayed the development. Here, we present boron-doped graphene nanoribbons (B-GNRs) of widths of N=7, 14 and 21 by on-surface...
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We demonstrate that the one-dimensional (1D) transport channels that appear in the gap when graphene nanoroads are embedded in boron nitride (BN) sheets are more robust when they are inserted at AB/BA grain boundaries. Our conclusions are based on ab initio electronic structure calculations for a variety of different crystal orientations and bonding arrangements at the BN/C interfaces. This pro...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2009
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.79.033412