Substitutional doping of symmetrical small fullerene dimers
نویسندگان
چکیده
منابع مشابه
Reentrant semiconducting behavior of zigzag carbon nanotubes at substitutional doping by oxygen dimers.
The electronic structures of carbon nanotubes doped with oxygen dimers are studied using the ab initio pseudopotential density functional method. The fundamental energy gap of zigzag semiconducting nanotubes exhibits a strong dependence on both the concentration and configuration of oxygen-dimer defects that substitute for carbon atoms in the tubes and on the tube chiral index. For a certain ty...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2019
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.26019