Estudio ab initio de propiedades electrónicas y estructurales de nanopartículas de SnO2 bajo presión

ABSTRACT Tin oxide (SnO2) has important applications, including as an elective material in the development of gas sensors. These devices improve their sensitivity and decrease their work temperature when the nanoparticle size is in the nanoscale order. Therefore, the gas sensor raises its efficiency noticeably. For this reason, the research of behavior at the nanoscale is essential. The total and surface formation energies of SnO2 nanoparticles (NPs) were determined by means of ab initio calculations at different concentrations and size near to 2.5 nm. The analysis shows that at higher concent...