Theoretical Study On The Electron Transport Properties Of Nanomolecular Devices

Tipple development of nanotechnology and synthetic technology of nano molecular makes it is possible to prepare for and study on nano molecular devices. nano molecular device is the device that uses nano molecular to process information. As nano molecular device is very small, about from so it is a few nanometer to several hundred nanometer, so it could lay the groundwork for a new assembling an intergrated circuit. So, it has now become one of the theoretical and experimental research hot spot in physical and chemical field.In this thesis, the theory of nano molecular that constitute nano sytem of multiple particale. has been sysytemic researched. This is a new theoretical model. It is generalized from theiritical model in existing literature. We stimulant calculate the electronical tranportion characteristic with the recursive method of 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.The development of nano molecular device is briefly introduced firstly. 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 recursive method of Green's Function and the elasticity dispersion theory of many partical system. Thirdly, we stimulant calculate the 4,4'-pyridine nano molecular and the 4,4'-mercaptopheny molecular, and we discuss the electronic transport characteristic with the conclusion. 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.