Effective sensing mechanisms of O <sub>2</sub> and CO on SnO <sub>2</sub> (110) surface: a DFT study
Felipe Lipsky, Amanda F. Gouveia, Fabrício R. Sensato, Mónica Oliva, E. Longo, Miguel A. San‐Miguel, Juan Andrés
Abstract
DFT reveals oxygen vacancies on SnO 2 stabilize polarons, driving efficient O 2 activation and CO oxidation. These findings enable advanced SnO 2 -based sensor design, leveraging defect engineering to boost catalytic and sensing performance.
Topics & Concepts
Materials scienceNanotechnologyChemistryGas Sensing Nanomaterials and SensorsZnO doping and properties