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Screening of ions in carbon and gold nanotubes — A theoretical study

✍ Scribed by Goduljan, Aleksej; Juarez, Fernanda; Mohammadzadeh, Leila; Quaino, Paola; Santos, Elizabeth; Schmickler, Wolfgang

Book ID
124119989
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
646 KB
Volume
45
Category
Article
ISSN
1388-2481

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## Abstract The energetic and optical properties of (n, n) carbon nanotubes (CNTs) for __n__ = 3–11 noncovalently modified with poly(phenylenethynylene) (PPE) were studied using a density‐functional tight‐binding method. The binding energies between the PPE and (n, n) CNTs were found increasing wit