Effect of temperature and Stone-Thrower-Wales defects on strength of carbon nanotubes
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چکیده
منابع مشابه
Atomic chemisorption on graphene with Stone–Thrower– Wales defects
Using first-principles calculations, we investigate the chemisorption of H, N, and P atoms on a graphene substrate with or without Stone–Thrower–Wales (STW) defects. Energetically, all three atoms are preferred to adsorb onto the defect sites by an energy difference of 0.683–2.143 eV. In both the intrinsic and defected graphene, H atom adsorbs on top of a C atom, while N and P atoms adsorb at t...
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ژورنال
عنوان ژورنال: Letters on Materials
سال: 2013
ISSN: 2218-5046,2410-3535
DOI: 10.22226/2410-3535-2013-4-318-321