Abstract
We study the electronic structure and chemical bonding of the SO2 molecule adsorbed on Ni(100) surface using x-ray emission spectroscopy at the O1s absorption edge. Elemental and symmetry specificities of the method enable us to directly probe surface chemical bonding formed by strong hybridization of O2p with Ni3d orbital. Contrary to the expected π bonding due to strong π acceptor character of the SO2 molecule, we find electronic structures with both σ and π characters just below the Ni Fermi level. The details of this complicated surface chemical bonding are discussed using a calculation based on density-functional theory.
Original language | English |
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Article number | 085405 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 78 |
Issue number | 8 |
DOIs | |
Publication status | Published - 2008 Aug 6 |
Externally published | Yes |
Subject classification (UKÄ)
- Condensed Matter Physics