Efficient propane low-temperature destruction by Co3O4 crystal facets engineering: Unveiling the decisive role of lattice and oxygen defects and surface acid-base pairs

Low-temperature degradation of short chain alkane is one of the greatest challenges of volatile organic compound purification. Here, rod-, sheet-, and cube-like Co3O4 (Co3O4-R, Co3O4-S, and Co3O4-C) with predominantly exposed (110), (111), and (100) facets respectively were fabricated. Co3O4-R presents excellent activity achieving 90 % of propane oxidized at just 195 degrees C owing to large amounts of lattice defects, oxygen vacancies and low coordinated Co atoms. Theoretical calculation reveals that Co3O4-R has the lowest formation energy of oxygen vacancy on (110) facet (E-vo (110) =1.7 eV), which has a higher activation capacity for oxygen due to the largest O-2 adsorption energy (-1.30 eV) and thus accelerates propane oxidation. Moreover, largest amount of lewis acid-base pairs existed in Co3O4-R polarizes substrate electron distribution and therefore accelerates the activation of C-H bonds. Electrophilic oxygen species (O-2(2-) or O-) caused the degradation of carbon skeleton and formed carboxylate intermediates before mineralized to CO2.

Automated summary

The low-temperature degradation of short chain alkanes is a major challenge in purifying volatile organic compounds. Co3O4 nanomaterials with different crystal facets were fabricated, and rod-like structures showed the highest activity due to their unique properties. The rod-like structure of Co3O4 has the lowest formation energy of oxygen vacancies on the (110) facet, making it an efficient catalyst for propane oxidation.