：The coherent potential approalmation (CPA) is used in the calculation of thevibrational spectra for absorbed 12CN- /13CN- mixtures on gold. The theoretical resultsare compared with the surface IR-spectra of 12CN-/13...：The coherent potential approalmation (CPA) is used in the calculation of thevibrational spectra for absorbed 12CN- /13CN- mixtures on gold. The theoretical resultsare compared with the surface IR-spectra of 12CN-/13CN- ndture absorbed on roughAu-electrod. The results show that in the systems consisting of isotopic drixtures of CN-on Au(100), molecules interact mainly through their dipole fields.展开更多
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...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.展开更多
文摘：The coherent potential approalmation (CPA) is used in the calculation of thevibrational spectra for absorbed 12CN- /13CN- mixtures on gold. The theoretical resultsare compared with the surface IR-spectra of 12CN-/13CN- ndture absorbed on roughAu-electrod. The results show that in the systems consisting of isotopic drixtures of CN-on Au(100), molecules interact mainly through their dipole fields.
文摘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.
