Soft X-ray absorption spectroscopy at the cutting edge for nanomaterials used in heterogeneous catalysis: the state of the art

被引:14
作者
Bazin, D
Rehr, J
机构
[1] Univ Paris 11, LURE, F-91405 Orsay, France
[2] Univ Washington, Dept Phys, Seattle, WA 98195 USA
关键词
Zn- and Ga-based catalyst; soft x-ray absorption; DeNO(x);
D O I
10.1023/A:1022865413065
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The state of the art in numerical simulation of soft X-ray absorption spectra at the L edge of different elements such zinc and gallium is presented. Significant progress has been achieved recently on the quality of the numerical simulation coming from qualitative agreement to a quantitative one. Moreover, it is possible to obtain the local density of states associated with each element. Works are in progress to take into account the different structural characteristics of materials such the lacunar aspect of solids or the distribution of vacancies inside clusters.
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页码:85 / 90
页数:6
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