Size and shape dependent lattice parameters of metallic nanoparticles

A model is developed to account for the size and shape dependent lattice parameters of metallic nanoparticles, where the particle shape difference is considered by introducing a shape factor. It is predicted that the lattice parameters of nanoparticles in several nanometers decrease with decreasing of the particle size, which is consistent with the corresponding experimental results. Furthermore, it is found that the particle shape can lead to 10% of the total lattice variation. The model is a continuous media model and can deal with the nanoparticles larger than 1 nm. Since the shape factor approaches to infinity for nanowires and nanofilms, therefore, the model cannot be generalized to the systems of nanowires and nanofilms. For the input parameters are physical constants of bulk materials, therefore, the present model may be used to predict the lattice variation of different metallic nanoparticles with different lattice structures.