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Structural and optical properties of Cu doped SnO2 nanoparticles: An experimental and density functional study
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/content/aip/journal/jap/113/23/10.1063/1.4811374
2013-06-21
2015-04-22

Abstract

The paper investigates, both theoretically and experimentally, the structural and optical changes in SnO system brought about by introduction of Cu in a SnO system. On the experimental front, a cost effective sol-gel technique is used to prepare hexagonal shaped Cu doped SnO nanoparticles. The prepared pristine SnO nanoparticle is found to be of random shape by transmission electron microscope (TEM) studies. A structural and morphological study is carried out using X-ray diffraction and TEM techniques. The different phonon interaction in the system is observed by Raman spectroscopy while electron paramagnetic resonance and UV-Visible spectroscopy confirms the presence of Cu in 2+ state. First principle calculations have been performed using “density functional theory”-based MedeA Vienna Simulation package on a SnO system where Cu is introduced. The introduction of Cu in the SnO system brings distortion which is corroborated by the variation in the corresponding bond lengths. The Density of State calculation of SnO and CuSnO is also performed. Finally, a correlation is established between the experiment and the theory.

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Scitation: Structural and optical properties of Cu doped SnO2 nanoparticles: An experimental and density functional study
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/23/10.1063/1.4811374
10.1063/1.4811374
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