Tuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành hóa học dành cho các bạn yêu hóa học tham khảo đề tài: Gold nanowires and the effect of impurities | Nanoscale Res Lett 2006 1 91-98 DOI s11671-006-9018-4 NANO REVIEW Gold nanowires and the effect of impurities Edison Z. da Silva Frederico D. Novaes Antonio J. R. da Silva A. Fazzio Published online 1 August 2006 to the authors 2006 Abstract Metal nanowires and in particular gold nanowires have received a great deal of attention in the past few years. Experiments on gold nanowires have prompted theory and simulation to help answer questions posed by these studies. Here we present results of computer simulations for the formation evolution and breaking of very thin Au nanowires. We also discuss the influence of contaminants such as atoms and small molecules and their effect on the structural and mechanical properties of these nanowires. PACS Introduction Modern experimental techniques such as Scanning Tunneling Microscopy STM Atomic Force Microscopy AFM and High Resolution Transmission Electron Microscopy HRTEM that allow visualization and more importantly manipulation of individual atoms made possible nanoscience. Along with these new possibilities new challenges were presented to science and one way to complement the understanding of these new questions is the use of computer simulations such as molecular dynamics that in the last few E. Z. da Silva El Instituto de Fisica Gleb Wataghin UNICAMP CP 6165 13083-970 Campinas SP Brazil e-mail zacarias@ F. D. Novaes A. J. R. da Silva A. Fazzio Instituto de Fisica USP CP 66318 05315-970 Sao Paulo SP Brazil years have also evolved a great deal due to the computer capability of present computers as well as the improvement of algorithms. These new simulation methods implemented at levels ranging from effective potentials to tight binding based up to ab initio electronic structure have helped to aid the understanding of experiments as well as stimulate new experiments since these techniques now have predictive power. The research in basic and applied science which is associated
