First principles calculations of magnetic properties of Rh-doped SnO2(110) surfaces
Source abstract
Abstract
Abstract The magnetic properties of Rh-doped SnO 2 (1 1 0) surface over a range of atomic Rh/Sn ratio from 9.09% to 26.31% have been calculated using a density functional theory (DFT) at the B3LYP level, as well as the spin-polarized total and projected density of states (DOS) of Rh atoms nearest-neighboring O and next-nearest neighboring Sn ions. An analysis of Mulliken population has been also done at the surface of SnO 2 in presence of the defects.
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Research context
OpenAlex topics: ZnO doping and properties · Gas Sensing Nanomaterials and Sensors · Electronic and Structural Properties of Oxides
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