Title of article
Band structure analysis of (1 × 2)-H/Pd(110)-pr
Author/Authors
Shuttleworth، نويسنده , , I.G.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2013
Pages
6
From page
119
To page
124
Abstract
A novel method of band structure analysis based on the atomic orbital (AO) coefficients in LCAO-DFT has been applied to the (1 × 2)-H/Pd(110)-pr system. The analysis has revealed symmetry-dependent Pd 4d band splitting due to H ligand effects; ensemble effects due to the (1 × 2) Pd reconstruction are shown to be relatively minor.
Keywords
Hydrogen , reconstruction , Pd(110) , Ensemble , ligand , LCAO
Journal title
Surface Science
Serial Year
2013
Journal title
Surface Science
Record number
1705943
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