: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.