Computer simulation study of the ground-state structures of singly ionized clust

2020-02-16 19:16:23

model potential clusters C60 ionized

责任者: Rey, C.;Garcia-Rodeja, J.;Gallego, L.J. 单位: Dept. de Fisica de la Materia Condensada, Univ. de Santiago de Compostela, Spain 来源出处: Physical Review B (Condensed Matter and Materials Physics)(Phys. Rev., B, Condens, Matter Mater. Phys. (USA)),2004/02/15,69(7):73404-1 摘要: Using a model potential which combines the spherically averaged Girifalco potential and a point polarizable dipole electrostatic model, we computed the ground-state structures of singly ionized clusters of C60 molecules and compared the results with predictions derived for neutral C60 clusters using Girifalcos potential. The structures of the simulated ionized fullerene clusters were similar to those of the corresponding neutral clusters, in keeping with the conclusions inferred recently by Branz et al. [Phys. Rev. B 66, 094107 (2002)] from time-of-flight mass spectrometry experiments 关键词: atomic clusters;fullerenes;ground states;nanostructured materials;time of flight mass spectra;computer simulation study;ground state structures;singly ionized clusters;C60 molecules;model potential;Girifalco potential;point polarizable dipole electrostatic model;ionized fullerene clusters;C60