基于紧束缚的Su-Schrieffer-Heeger(SSH)模型,利用非绝热的动力学方法,研究了金属/聚合物结构中电势能零点的选取对电荷注入的影响.理论计算发现,电场越强,电势能零点的选取对电荷注入的影响就越大.
Within the tightly-binding Su-Schrieffer-Heeger (SSH) model and a nonadiabatic dynamic evolution method, we study the influence of the choice of zero electric potential energy on the charge injection in a metal/polymer structure. Through the theoretical calculation, we find that the influence of the choice of zero electric potential energy increases with the electric field strength increasing.