DFT Study of Nonlinear Optical Properties of a Group of Transition Metal-Decorated B۱۲N۱۲Nanocages

In this study, the NLO response of a group of B۱۲N۱۲ nanocages modified by transition metals have beenstudied using the DFT approach. The correlation between the NLO response of the nanocages and their differentelectronic characteristics has been studied.

کلیدواژه ها:

B۱۲N۱۲ nanocage ، DFT (Density Functional Theory) ، Nonlinear Optical (NLO) characteristics