Figure 1 (IMAGE)
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Snapshots of molecular dynamics simulations showing carbon nanotube growth with an alloy catalyst made of nickel (blue) and gold (yellow) atoms in comparison with a catalyst made of gold only. (a) Contact-induced separation of the two metallic elements: gold is less active than nickel and is pushed on the top of the growth front. (b) Subsequent directional diffusion of the carbon atoms (red arrows) to the growth front, leading to efficient growth. (c) During carbon nanotube growth with monometallic catalysts, the random diffusion of carbon atoms results in their accumulation on the top surface of the catalyst, increasing the risk of encapsulation and growth termination.
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