Ab Initio Molecular Dynamics Simulation of the Dissociation of Ethanol on a Nickel Cluster: Understanding the Initial Stage of Metal-Catalyzed Growth of Carbon Nanotubes

Tomoya Oguri, Kohei Shimamura, Yasushi Shibuta, Fuyuki Shimojo and Shu Yamaguchi

The Journal of Physical Chemistry C

DOI: 10.1021/jp403006m

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