Distinguishing Sb-containing sites in SnO2 using spectrum simulation of X-ray absorption spectroscopy

Abstract

Abstract Antimony (Sb)-doped tin dioxide (SnO2) is a transparent electrode material with high electrical conductivity. Sb is believed to act as a donor by substituting at the Sn position as pentavalent (Sb5+) that has been physically proved through X-ray absorption spectroscopy (XAS), in agreement with Sb2O5. Furthermore, ab initio calculations confirmed the abovementioned, based on density functional theory and on the precondition that there are no clusters or bulk of Sb2O5.