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（ＣＯ＋Ｃｓ）／Ｒｕ（１０１０）共吸附的体系中，ＣＯ分子由于受Ｃｓ原子强烈影响，分子轨道发生 重新杂化组合．ＣＯ分子原来在清洁 Ｒｕ（１０１０）表面上结合能位于 ７．５ｅＶ处相重叠的５σ和 １π轨道 对应谱峰分裂为两峰，结合能分别位于 ６.３和 ７．８ ｅＶ处．其中 ６．３ ｅＶ处的谱峰来自ＣＯ分子 １π 轨道 的一支，它显示出该分子轨道沿衬底<０００１>晶向的镜面反对称性．ＣＯ分子１π轨道的另一支和５σ 轨道在结合能 ７．８ ｅＶ处相重叠．
(CO + Cs) / Ru (1010) co-adsorption system, the CO molecule due to the strong influence of Cs atoms, molecular orbital re hybridization. The CO molecule originally splits into two peaks corresponding to the 5σ and 1π orbital of binding energy located at 7.5eV on the surface of the clean Ru (1010) surface and the binding energies are located at 6.3 and 7.8 eV, respectively. The peak at 6.3 eV is from one of the 1π orbitals of the CO molecule, which shows the mirror symmetry of the molecular orbital along the <0001> crystal orientation of the substrate. The other branch of the 1π orbit of the CO molecule overlaps with the 5σ orbit at a binding energy of 7.8 eV.