Computational catalysis in nanotubes - Catalysis - page 118

Fig. 4 Lindemann indices as a function of temperature for 467(Au)-15: squares, first layer
(innermost); circles, fourth layer (outermost); up triangles, entire system. 35
Fig. 5 Radial density function for 1522(Au)-25 during the cooling (a) and heating (b)
processes. 35
layer. For example, the radial density curve for the confined Au 1522 has six
peaks at lower temperatures, suggesting that the Au 1522 possesses a six-
layer stacked structure before melting (Fig. 5a (300 and 600 K) and b (300