@article{ff959b627ce840eabfcc96b2f39d01bf,
title = "Interaction of single-walled carbon nanotubes with alkylamines: An ab initio study",
abstract = "We study the interaction of single-walled carbon nanotubes and organic amines with sizable alkyl groups from the first principles. Adsorption energy is calculated, and amine affinities for the typical semiconducting and metallic nanotubes are compared. We discuss role of the amine in nanotube debundling. Our results support the idea of using alkylamines as nanotube purifying agents in addition to ultrasonic treatment.",
keywords = "Adsorption, Amine, Carbon nanotube, Debundling",
author = "Pupysheva, {Olga V.} and Farajian, {Amir A.} and Hitoshi Nejo and Hiroshi Mizuseki and Yoshiyuki Kawazoe",
note = "Funding Information: We would like to express our sincere thanks to the crew of Center for Computational Materials Science of the Institute for Materials Research, Tohoku University, for their continuous support of the SR8000 supercomputing facilities. We are also grateful to Dr. R.V. Belosludov for the fruitful discussions. This work was supported by the Grant-in-Aid for Scientific Research of the Ministry of Education, Culture, Sports, Science and Technology of Japan.; Proceedings of the Sixth International Conference on Nano-Molecular Electronics (ICNME 2004) ; Conference date: 15-12-2004 Through 17-12-2004",
year = "2006",
month = mar,
day = "21",
doi = "10.1016/j.tsf.2005.07.021",
language = "English",
volume = "499",
pages = "256--258",
journal = "Thin Solid Films",
issn = "0040-6090",
publisher = "Elsevier",
number = "1-2",
}