摘要
We have developed s multiple-scattering cluster (MSC) method for studying the near-edge Xray absorption fine structure (NEXAFS) and basing on the dynamic theory of photoelectron diffraction and simulating the adsorbed surface by an atomic cluster, applied it to gas-phase carbon monoxide molecule and CO-Ni (001) system. The intramolecular bond-lengths determined in terms of MSC method are the same as those from LEED and photoelectron diffraction. This shows the validity of the method.
We have developed s multiple-scattering cluster (MSC) method for studying the near-edge Xray absorption fine structure (NEXAFS) and basing on the dynamic theory of photoelectron diffraction and simulating the adsorbed surface by an atomic cluster, applied it to gas-phase carbon monoxide molecule and CO-Ni (001) system. The intramolecular bond-lengths determined in terms of MSC method are the same as those from LEED and photoelectron diffraction. This shows the validity of the method.
基金
Project supported by the National NaturalScience Foundation of China
