Study On The Inelastic Electron Tunneling Spectra Of Surface Adsorption Systems

The electron spectroscopy is an important method to study the molecular structure and chemical composition.Since the pioneering work by Jaklevic and Lambe,wherethe changes in conductance across a metal-metal oxide-metal tunneling junction could be referred to the vibrational modes of molecules in the tunneling barrier,the field of inelastic electron tunneling spectroscopy(IETS)has considerablymatured.Because of its high sensitivity and non selective rules,it has become an indispensable technical means in surface science research,and it is a powerful tool to reveal the adsorption configuration and electronic structure of the surface adsorption system.In this paper,two adsorption systems of CO@Ag(100)and CO@Cu(100)were constructed,IETS calculation based on density functional theory of three systems:CO@Ag(100)and CO@Cu(100),to earch the CO vibration mode because of the inelastic electron tunneling in the in adsorption system,In order to reveal the essence of inelastic electron tunneling.The innovation of this paper is to compare the IETS calculation results of CO@Cu(100)system with experimental data,besides that,the IETS calculation of normal adsorption mode and defect on the surface of CO@Cu(100)system is calculated and compared with the calculation results.The research results in this paper can help to study the activation of CO,and it has a certain significance for studying the inelastic electron tunneling of metal surface adsorption system.In the chapter one,the background and the destination and meaning and the research situation of our research were introduced.The basic theories of our works were mentioned in the chapter two.In the chapter three,we introduce the STM-IETS and analysis of the results of IETS calculation of CO@Ag(100)system.In the chapter four,we analysis of the results of IETS calculation of CO@Cu(100)system.Finally,there are some conclusions and expectations from our researches in chapter fiveFinally,we get two conclusions: Firstly,in the CO@Cu(100)system,four modes of vibration of CO are excited by inelastic electron tunneling.It has some guiding significance for studying the inelastic tunneling process of surface adsorption system.Secondly,we calculate the IETS of the CO@Cu(100)system when the surface is defective,It is found that the bond of C-O are weakened,this is useful for the study of the activation of CO.