In this study, the electronic transport properties of 2-amino-4,5-bis(2,5-dimethylthiophen-3-yl)furan-3-carbonitrile (as a diarylethene) and its 3 derivatives in R position (R = H, –NH₂, and –NO₂) have been studied by non-equilibrium green’s function joint with density functional theory. This molecule can be converted from closed form to open form by ultraviolet radiation or visible light. Several parameters, including different molecular geometries, the influence of electrode constituents (Pt, Au, and Ag) and adsorption types (bridge, hollow, and top), I–V characteristics, on–off ratio, HOMO–LUMO gaps, and electronic transmission coefficients T(E), have been investigated. The results showed that as the molecule changes from closed form to open form (closed → open), conductivity changes from on state (high conductivity) to off state (low conductivity).

在这项研究中，2-氨基-4,5-双（2,5-二甲基吡啶-3-基）呋喃-3-甲腈该电子传输性质（如一个（二芳基乙烯）及其衍生物3在R位置R = H 、–NH ₂和–NO ₂ ) 已经通过非平衡格林函数和密度泛函理论进行了研究。这种分子可以通过紫外线辐射或可见光从封闭形式转变为开放形式。几个参数，包括不同的分子几何形状、电极成分（Pt、Au 和 Ag）和吸附类型（桥、空心和顶部）的影响、I - V特性、开-关比、HOMO-LUMO 间隙和电子传输系数T ( E )，已被调查。结果表明，从封闭的形式到开放形式的分子的变化（闭→开），从电导率变化上状态（高导电性），以关断状态（低导电性）。