Theoretical Study On The Electron Transport Properties Of Nanomolecular Devices

Within the last decade, there is no denying the fact that an increasing interest in molecular electronics has been developed and the study of molecular electronics is one of the branches of the Nanoelectronics. With molecules as a drive of information processing, lots of electric characters in the molecular space can be researched in the molecular electronics. Nowadays, the basic science on which a molecular electronics technology would be built is now unfolding in the world, and the emerging science and applications are tremendously exciting. For example, current research is using molecules in such electronics applications as interconnects, switches, rectifiers, transistors, nonlinear components, dielectrics, photovoltaics, memories and so forth.In this thesis, the theory of nano molecular that constitutes nano sytem of multiple particale has been sysytemiclly researched. This is a new theoretical model. It is generalized from theiritical model in existing literature. We simulatedly calculate the electronical tranportion characteristic with the elastic-scattering Green's Function, and link the consistency theory of independent particle model for many partical system, and the elasticity dispersion theory. Analysis of the result is given.Firstly, the development of nano molecular device is briefly introduced. Based on the history of nano molecular device and the progress of nano molecular device, we introduce the success on nano molecular device and the problem on nano molecular device. Secondly, we start from the representation of current, conductance and transport function through nano molecular device is viewed as nano molecular bridge. We deduce the representation of current, conductance and transport function of the nano molecular bridge with the elastic-scattering Green's Function and the elasticity dispersion theory of many partical system. Thirdly, we simulatedly calculate the 4, 4'-mercaptopheny molecular, and we discuss the electronic transport characteristic with the conclusion. In the end, we change molecular device and electrode joint for theoretical calculation. Then we discuss electronic transport property of the nanometer molecular device. The results denotes that electron transport properties of different electrode models have great differences, but regular triangle electrode model made of 3-Au atoms coincidence experiment results well. It is shown that the electronic transport probabilities through the nano molecular bridge are closely related to the electronic energy. So we can educe the conclusion that nano molecular device has the functionality of function device. In the last, the work that we do in this thesis is summarized.