Size Dependent Phase Diagrams of Nickel-Carbon Nanoparticles
نویسندگان
چکیده
منابع مشابه
Size Dependent Phase Diagrams of Nickel-Carbon Nanoparticles.
The carbon rich phase diagrams of nickel-carbon nanoparticles, relevant to catalysis and catalytic chemical vapor deposition synthesis of carbon nanotubes, are calculated for system sizes up to about 3 nm (807 Ni atoms). A tight binding model for interatomic interactions drives the grand canonical Monte Carlo simulations used to locate solid, core shell and liquid stability domains, as a functi...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2015
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.115.205502