Title of article
The complex core level spectra of CeO2: An analysis in terms of atomic and charge transfer effects
Author/Authors
Bagus، نويسنده , , P.S. and Nelin، نويسنده , , C.J. and Ilton، نويسنده , , E.S. and Baron، نويسنده , , M. and Abbott، نويسنده , , H. and Primorac، نويسنده , , E. and Kuhlenbeck، نويسنده , , H. and Shaikhutdinov، نويسنده , , S. and Freund، نويسنده , , H.-J.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2010
Pages
4
From page
237
To page
240
Abstract
We present a rigorous parameter-free theoretical treatment of the Ce 4s and 5s photoelectron spectra of CeO2. The currently accepted model explains the satellite structure in the photoelectron spectra in terms of mixed valence (Ce 4f0 O 2p6, Ce 4f1 O 2p5, and Ce 4f2 O 2p4) configurations. We show that charge transfer (CT) into Ce 5d as well as configurations involving intra-atomic movement of charge must be considered in addition and compute their contributions to the spectra.
Journal title
Chemical Physics Letters
Serial Year
2010
Journal title
Chemical Physics Letters
Record number
1928569
Link To Document