Stability and Sensing Enhancement by Nanocubic CeO₂ with {100} Polar Facets on Graphene for NO₂ at Room Temperature

Metal oxides with a polar surface interact strongly with polar NO₂ molecules, thus facilitating sensitive detection of NO₂. In this work, the composites comprising graphene and cubic CeO₂ nanoparticles with the {100} polar surface are prepared by a hydrothermal technique, and they exhibit fast response, excellent selectivity, stable recovery, and sensitive detection with a low detection limitation of 1 ppm for NO₂ at room temperature. According to the first-principle calculations, the adsorption energy of NO₂ on the CeO₂{100} polar surface is the most negative corresponding to the strongest interactions between them. The formation energy of oxygen vacancies (O_v) on the {100} polar plane is also negative, and the abundant O_v facilitates the adsorption of NO₂. The internal electric field near the polar surface promotes the charge separation and accelerates the charge exchange between NO₂ and the composites. In addition, graphene promotes electron transfer at the interface and improves the stability of the CeO₂{100} polar surface. The composites of graphene and metal oxides with a polar surface are excellent for NO₂ detection, and the discovery reveals a new sensing strategy.