Role of surface oxygen vacancies in photoluminescence of tin dioxide nanobelts

The role of surface oxygen vacancies in the optical properties of tin dioxide nanobelts is investigated in this paper. Using a first-principles approach, based on the density functional theory combined to a very accurate exchange correlation functional, we characterize SnO"2 (101), that is the nanobelt largest surface. We show that the presence of surface oxygen vacancies leads to the appearance of (i) occupied states located at about 1eV above the valence band and (ii) unoccupied states lying in resonance with the conduction band. Photoluminescence characterization performed on samples of SnO"2 nanobelts at low temperature shows that the basic spectral features of luminescence are in excellent agreement with theoretical predictions.

[1]  G. Pacchioni.  Oxygen vacancy: the invisible agent on oxide surfaces. , 2003, Chemphyschem : a European journal of chemical physics and physical chemistry.

[2]  A. Becke,et al.  Density-functional exchange-energy approximation with correct asymptotic behavior. , 1988, Physical review. A, General physics.

[3]  E. Comini,et al.  Functional nanowires of tin oxide , 2007 .

[4]  Giorgio Sberveglieri,et al.  Tin oxide nanobelts electrical and sensing properties , 2005 .

[5]  L. Lazzarini,et al.  Cathodoluminescence characterization of SnO2 nanoribbons grown by vapor transport technique , 2006 .

[6]  R. Dovesi,et al.  Electronic structure and stability of different crystal phases of magnesium oxide. , 1986, Physical review. B, Condensed matter.

[7]  Miao Zhang,et al.  Synthesis and low-temperature photoluminescence properties of SnO2 nanowires and nanobelts , 2006, Nanotechnology.

[8]  Matteo Ferroni,et al.  Synthesis and characterization of semiconducting nanowires for gas sensing , 2007 .

[9]  P. Maddalena,et al.  On the mechanism of photoluminescence quenching in tin dioxide nanowires by NO2 adsorption , 2008 .

[10]  Dmitri Golberg,et al.  Laser‐Ablation Growth and Optical Properties of Wide and Long Single‐Crystal SnO2 Ribbons , 2003 .

[11]  D. Ninno,et al.  Density functional study of oxygen vacancies at the SnO 2 surface and subsurface sites , 2008, 0804.3460.

[12]  U. Diebold,et al.  The surface and materials science of tin oxide , 2005 .

[13]  Parr,et al.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.

[14]  Peidong Yang,et al.  Photochemical sensing of NO(2) with SnO(2) nanoribbon nanosensors at room temperature. , 2002, Angewandte Chemie.

[15]  L. Lazzarini,et al.  Morphological, structural and optical study of quasi‐1D SnO2 nanowires and nanobelts , 2005 .