A theoretical study of the oxygen K-edge near-edge X-ray absorption ne structure of N2O/Ir(110)

doi:10.1088/1674-1056/21/7/076801

Abstract A multiple-scattering cluster method is employed to calculate the oxygen K-edge near-edge X-ray absorption fine structure of N₂O/Ir(110) and its monolayer. Two peaks and one weak resonance appear in both cases. The selfconsistent field DV-X calculations of the peaks and resonance show that the physical origin of the pre-edge peak x is different from those of the main peak 1 and the other weak resonance σ₁. This setup is intrinsic to the N₂O monolayer, owing to the interaction between the neighbouring molecular chains in the monolayer and partly to the adsorbed atomic oxygen, according to both the theoretical and experimental data.

Keywords: N₂O/Ir(110) N₂O monolayer multiple-scattering cluster near-edge X-ray absorption fine structure

Received: 22 October 2011
Revised: 10 December 2011
Accepted manuscript online:

PACS:	68.43.Bc	(Ab initio calculations of adsorbate structure and reactions)
	68.43.Hn	(Structure of assemblies of adsorbates (two-and three-dimensional clustering))

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 10904134 and 10802083).

Corresponding Authors: Wu Tai-Quan
E-mail: buckyballling@hotmail.com

Cite this article:

Wu Tai-Quan(吴太权), Zhu Ping(朱萍), Wang Xin-Yan(王新燕), and Luo Hong-Lei (罗宏雷) A theoretical study of the oxygen K-edge near-edge X-ray absorption ne structure of N₂O/Ir(110) 2012 Chin. Phys. B 21 076801

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A theoretical study of the oxygen K-edge near-edge X-ray absorption ne structure of N2O/Ir(110)

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A theoretical study of the oxygen K-edge near-edge X-ray absorption ne structure of N₂O/Ir(110)