Combined XANES and EXAFS analysis of Co2+, Ni2+, and Zn2+ aqueous solutions -: art. no. 064209

被引:112
作者
D'Angelo, P
Benfatto, M
Della Longa, S
Pavel, NV
机构
[1] Univ Roma La Sapienza, Dipartimento Chim, I-00185 Rome, Italy
[2] UdR Camerino, INFM, Camerino, Italy
[3] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy
[4] Univ Aquila, Dipartimento Med Sperimentale, I-67100 Laquila, Italy
[5] UdR roma La Sapienza, INFM, I-00185 Rome, Italy
关键词
D O I
10.1103/PhysRevB.66.064209
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A combined x-ray-absorption near edge structure (XANES) and extended x-ray-absorption fine-structure (EXAFS) quantitative analysis of Co2+, Ni2+, and Zn2+ in water solutions based on fitting procedures of both low- and high-energy ranges has been carried out. The hydrogen contribution has been accounted for in both analyses and the effect of its inclusion on the structural parameters has been highlighted. The structural results obtained from the XANES and EXAFS analyses are in good agreement, confirming the validity of the application of the multiple-scattering theory in the low-energy range of the x-ray-absorption spectra. A systematic shortening of the ion-water first shell distance of about 0.03 Angstrom is obtained from the XANES analyses, as compared to the EXAFS one. The origin of this systematic effect has been deeply investigated and it has been found to be due to the low-energy behavior of the real part of the Hedin-Lundqvist potential used in the calculations.
引用
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页码:642091 / 642097
页数:7
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