Surface electronic states in three-dimensional SnO2 nanostructures -: art. no. 035404

被引：104

作者：

Kucheyev, SO ^{[1
]}

Baumann, TF ^{[1
]}

Sterne, PA ^{[1
]}

Wang, YM ^{[1
]}

van Buuren, T ^{[1
]}

Hamza, AV ^{[1
]}

Terminello, LJ ^{[1
]}

Willey, TM ^{[1
]}

机构：

[1] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA

来源：

PHYSICAL REVIEW B | 2005年 / 72卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.72.035404

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure of three-dimensional SnO2 nanostructures (aerogels) is studied by soft x-ray absorption near-edge structure (XANES) spectroscopy. High-resolution O K-edge and Sn M-3- and M-4,M-5-edge XANES spectra of monolithic nanocrystalline rutile SnO2 aerogels with different surface areas (i.e., different surface-to-volume atom fractions) are compared with spectra of full-density rutile SnO2 and tetragonal SnO. Spectra are interpreted based on the electronic densities of states in SnO2 calculated with both cluster (self-consistent real-space multiple scattering) and band-structure (linear muffin-tin orbital) methods. Results show that, in contrast to the currently widely accepted picture, the presence of undercoordinated surface atoms not only affects the Fermi level position but also changes the structure of the conduction band by introducing additional Sn-related electronic states close to the conduction band minimum. These additional states are due to oxygen deficiency and are attributed to a surface reconstruction of SnO2 nanoparticles forming the aerogel skeleton. Results of this study are important for understanding the physical processes underlying the performance of gas sensors based on SnO2 nanostructures.

引用

页数：5

共 39 条

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