Friday, January 15, 2016

Self-Assembly of Endohedral Metallofullerenes: A Decisive Role of Cooling Gas and Metal-Carbon Bonding

Nanoscale, 2016, Accepted Manuscript
DOI: 10.1039/C5NR08645K, Paper
Qingming Deng, Thomas Heine, Stephan Irle, Alexey A Popov
The endohedral metallofullerene (EMF) self-assembly process in Sc/carbon vapor in the presence and absence of an inert cooling gas (helium) is systematically investigated using quantum chemical molecular dynamics simulations. It...
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