Transforming Carbon Nanotubes by Silylation: AnAb InitioStudy
نویسندگان
چکیده
منابع مشابه
Transforming carbon nanotubes by silylation: an ab initio study.
We use ab initio density functional calculations to study the chemical functionalization of single-wall carbon nanotubes and graphene monolayers by silyl (SiH(3)) radicals and hydrogen. We find that silyl radicals form strong covalent bonds with graphene and nanotube walls, causing local structural relaxations that enhance the s p(3) character of these graphitic nanostructures. Silylation trans...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2008
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.100.236102