Molecular wire

Charge transport properties of a molecular wire investigated by first principles

分子线的电子输运特性

Effect of Substituent Groups on the Electronic Properties of a Molecular Wire

取代基对分子线电子性质的影响

Theoretical Investigations on Molecular Conducting Wire under Electric Field

电场作用下分子导线的理论研究

Molecular dynamics simulation of failure process of nano aluminum wire under axial tension

分子动力学模拟单晶纳米铝丝的拉伸破坏

By using desity functional theory, we have calculated the electronic structure of the molecule, discussed the influence of the temperature on molecule structure. By using the extension of the molecule orbits, we also discussed the influence of molecular electronic structure on molecular wire conductance.

利用密度泛函理论计算了分子的电子结构，讨论了温度对分子结构的影响，并利用轨道的扩展情况讨论了分子电子结构对分子线电导的影响。

The development course of molecular device is described in this paper. The research advancement of fullerene-derivative in molecular wire, molecular switch and molecular memory is summarized, and prospect for progress on molecular device is given too.

介绍了富勒烯衍生物分子器件在分子导线，分子开关和分子储存器的研究进展，展望了分子器件发展前景。

The electronic transmission through the molecular wire, metal/ C_2H_2/ metal, is studied using a tight-binding model and the transfer-matrix technique.

在紧束缚近似下，利用转移矩阵法对金属/C2H2/金属结构的分子导线的电子输运性质进行了研究。

Theoretical Studies on Diphenylacetylene Molecular Wire under External Electric Field

电场作用下二苯乙炔分子导线理论研究

Up to now, there have been extensive studies on organic and DNA molecular electronics. It include molecular wire and molecular swich.

新兴学科分子电子学其进展包括分子导线和分子开关。

In recent years, molecular electronic devices ( such as molecular field effect tube, molecular rectifier, molecular memory, molecular wire, molecular switch and molecular motor, etc.) as the next generation of electronic devices have been rapid development.

近年来，分子电子器件（如分子场效应管、分子整流器、分子储存器、分子导线、分子开关和分子马达等）作为下一代电子器件得到了快速的发展。

The single molecular switch and wire have been successfully fabricated and can be used to design the devices focusing on the logical computation in the scale of a single molecule.

单个分子开关和分子导线已经研制成功，由此可设计分子尺度的电子逻辑计算。