화학공학소재연구정보센터
Chemical Physics Letters, Vol.430, No.4-6, 319-322, 2006
Density functional theory study of single-wall platinum nanotubes
Single-wall platinum nanotubes (SWPtN) were studied using spin-polarized density functional theory calculations. These nanotubes consist of 5-, 6-, and 8-Pt atoms coiling around the tubular axis forming 3.54-4.73 angstrom in diameter and 0.7-1.4 nm and infinite in length. Two types of wall structures, square and triangular, were investigated. The results show that triangular nanotubes are more stable. Our results suggest that it is also feasible to synthesize the 5- and 8-atom triangular nanotubes as the 6-atom Pt nanotubes were found experimentally. These SWPtN may provide a new dimension in the catalytic applications of platinum. (c) 2006 Published by Elsevier B.V.