Ag(110)表面吸附酞菁铜分子的紫外光电子谱研究  

UPS study of electronic states of CuPc/Ag(110)

作　　者：窦卫东[1,2] 宋飞[1] 黄寒[1] 鲍世宁[1] 陈桥[3] 

机构地区：[1]浙江大学物理系,杭州310027 [2]绍兴文理学院物理与电子信息系,绍兴312000 [3]圣安德鲁斯大学联合化学学院,英国

出　　处：《物理学报》2008年第1期628-633,共6页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:10674118和60506019)资助的课题~~

摘　　要：用紫外光电子能谱(UPS)研究了酞菁铜分子在Ag(110)单晶表面上的吸附,随着酞菁铜分子覆盖度增加,衬底Ag的3d电子信号逐渐减弱,在此能带区域出现两个新的谱峰,这两个与吸附有机分子轨道有关的谱峰的束缚能分别为4.45和6.36eV.随着覆盖度的增加,在结合能为1.51和9.20eV处又出现了两个谱峰,它们同样来自吸附有机分子的轨道.随着覆盖度的继续增加,上述四个谱峰的强度逐渐增加,其能量位置均发生了明显的偏移.根据角分辨光电子能谱的实验结果,酞菁铜分子的分子平面基本与衬底表面平行.密度泛函理论计算证实了分子的平行吸附,酞菁铜分子吸附的最佳位置应该在"中心空位"上.The electronic structure of copper phthalocyanine （CuPc） adsorbed on Ag （110） surface has been investigated by using the ultra-violet photoemission spectra （UPS）. The signals from the 3d band of the substrate Ag atoms faded, while two new peaks grew at 4.45 and 6.36eV below the Fermi level with increasing coverage of CuPc molecules. With further increasing the CuPc coverage, other two peaks can be detected at 1.51 and 9.20 eV below the Fermi level. All four peaks originate from CuPc molecules. With increasing CuPc coverage, the four peaks increase in intensity and shift in binding energy. The results of angular resolved UPS suggest a “flat-lying” mode for CuPc molecules adsorbed on Ag （110） surface. And this has been supported by the theoretical calculation based on the density functional theory （DFT）. The theoretical study shows that the CuPc molecule prefers to lie on the hollow position of Ag substrate.

关 键 词：酞菁铜 紫外光电子谱 吸附电子态 密度泛函理论 

分 类 号：O433[机械工程—光学工程]