摘要
The coherent potential approximation (CPA) was used in the calculation of the vibrational spectra for absorbed 12CO/13CO thextures on platinum. The theoretical results were compared with the surface IR-spectra of 12CO/13CO mixture absorbed on Pt-electrode. The results show that in the systems consisting of isotopic Anxtures of CO on Pt(001), molecules interact mainly through their dipole fields.
The coherent potential approximation (CPA) was used in the calculation of the vibrational spectra for absorbed 12CO/13CO thextures on platinum. The theoretical results were compared with the surface IR-spectra of 12CO/13CO mixture absorbed on Pt-electrode. The results show that in the systems consisting of isotopic Anxtures of CO on Pt(001), molecules interact mainly through their dipole fields.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1996年第4期365-367,共3页
Acta Physico-Chimica Sinica
关键词
偶极-偶极相互作用
相关势近似
强度转移
频率位移
Dipole-dipole interaction, Coherent potential approximation, Intensity transfer, Frequency shift
