Thermodynamic argument about SnO2 nanoribbon growth

Calculations based on density functional theory at Becke's three-parameter exchange functional combined with the Lee-Yang-Parr correlation functional (B3LYP) level and periodic slab models have been done to obtain: (i) the surface energy per unit area of different stoichiometric SnO2 surfaces, and (ii) by using a simple Wulff construction equation-type, the thermodynamic stability associated to the formation of nanoribbons from these surfaces has been obtained. In agreement with previous theoretical studies, the (110) face is the thermodynamically most stable surface. The present theoretical results and high-resolution transmission electron microscopy data reveal that the nanoribbons preferentially grow along the [101] crystal direction. (C) 2003 American Institute of Physics.