基于聚亚苯基分子器件的二进制减法器

为了在分子电路水平实现减法运算,按照固态电子学组合逻辑原理,提出了一种基于聚亚苯基分子器件的二进制减法器(包括半减器和全减器)逻辑电路的设计。这种单分子电路是用聚亚苯基分子逻辑门的分子结构代替组合逻辑中非门、与门和XOR门,再用Tour分子线作为框架,同时考虑有机分子的形状和连接产生的几何和空间排列的约束条件,用Hartree-Fock(HF)从头算方法优化得到,其结构尺寸是传统固态电子电路的百万分之一。这种分子减法器电路的实现对分子电子学发展有重要的意义。

Binary Subtractor Based on Polyphenylene Molecular Device

In order to implement subtraction circuit in molecular scale, based on the principle of solid-state electronic circuit design, a binary subtractor based on polyphenylene was proposed. The NOT, OR and XOR gate of combinational logic were replaced by the polyphenylene based molecular device whileTour-type molecular wire constitute the framework in the molecular circuit accounting for the geometry and steric constraints imposed by the bonding and shapes of the organic molecules. The resulting structure of this circuit, optimized using ab initio Hartree-Fock (HF) method, should have dimensions of about one millionth of the solid state one. This work is a significant milestone in molecular electronics.