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An illustration from the CREST research of the Morokuma Team is on the cover of the October issue of Accounts of Chemical Research.
Researcher： Alister Page (Fukui Center, Kyoto Univ.)
Yasuhito Ohta (Nara Women's Univ.)
Stephan Irle (ARI, Nagoya Univ.)
Keiji Morokuma (Fukui Center, Kyoto Univ.)
Publication Date： Oct 19, 2010
Journal Title： Accounts of Chemical Research
Contents:
The cover depicts the growth of a single-walled carbon nanotube on a transition-metal catalyst nanoparticle, based on QM/MD simulations. Growth near the catalyst particle itself is chaotic and random, and induces many structural defects (5- and 7-membered rings) into the base of the growing nanotube. Simultaneously, defect healing occurs as the nanotube cools, thereby increasing the population of 6-membered rings in a pattern following the chirality of the existing nanotube structure. (see pp 1375-1385).
URL： http://http://pubs.acs.org/action/showLargeCover?issue=355421400
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