Microscopic mechanism of fullerene fusion | Zendy

Seungwu Han | Zendy; Mina Yoon | Zendy; Savaş Berber | Zendy; Noejung Park | Zendy; Eiji Ōsawa | Zendy; Jisoon Ihm | Zendy; David Tománek | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Microscopic mechanism of fullerene fusion

Author(s) -

Seungwu Han,

Mina Yoon,

Savaş Berber,

Noejung Park,

Eiji Ōsawa,

Jisoon Ihm,

David Tománek

Publication year - 2004

Publication title -

physical review b

Language(s) - English

Resource type - Journals

eISSN - 1538-4489

pISSN - 1098-0121

DOI - 10.1103/physrevb.70.113402

Subject(s) - fusion , fullerene , string (physics) , materials science , cycloaddition , nuclear fusion , sequence (biology) , mechanism (biology) , phase (matter) , cold fusion , space (punctuation) , phase space , chemical physics , physics , atomic physics , computer science , theoretical physics , thermodynamics , chemistry , quantum mechanics , philosophy , linguistics , biochemistry , operating system , catalysis

Combining total energy calculations with a search of phase space, we investigate the microscopic fusion mechanism of C60 fullerenes. We find that the (2 + 2) cycloaddition reaction, a necessary precursor for fullerene fusion, may be accelerated inside a nanotube. Fusion occurs along the minimum energy path as a finite sequence of Stone-Wales transformations, determined by a graphical search program. Search of the phase space using the "string method" indicates that Stone-Wales transformations are multistep processes, and provides detailed information about the transition states and activation barriers associated with fusion.open413

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research