Chemical Physics Letters, Vol.597, 51-56, 2014
Nano-size effects on the nature of bonding in Y2Sn2O7: EXAFS and Raman spectroscopic investigations
Nature of bonding around Y3+ and Sn4+ ions in Y2Sn2O7 phase, both in the bulk and in nanosize dimensions, were investigated by yttrium K edge EXAFS measurement, Raman spectroscopy and theoretical calculations based on density functional theory (DFT). From the investigations it is established that Y-O bond is more covalent in nanoparticles of Y2Sn2O7, compared to bulk Y2Sn2O7. Asymmetric electron density distribution around Sn4+ in nanoparticles of Y2Sn2O7, compared to bulk, leads to the improvement in the Raman activities of bending and stretching vibrational modes of Y-O, Y-O-Sn and Sn-O linkages. (C) 2014 Elsevier B. V. All rights reserved.