Nanocapsule

Recent Progress in Well‐Controlled Synthesis of Ceria‐Based Nanocatalysts towards Enhanced Catalytic Performance

“…As a case of reduction conditions, oxygen left the surface forming oxygen vacancy. Similarly, Yang et al studied the atomic and electronic structure of different surfaces of CeO 2 and found that the (111) surface is the most stable among the considered surfaces, followed by (110) and (100) surfaces. Therefore, when an oxygen atom diffused towards the surface, these electrons localized on Ce atoms in the immediate surrounding of the vacancy correspondingly delocalized and transferred to oxygen from Ce sites when the vacancy left.…”

“…Theoretical calculation studies show that the vacancy formation energy on different crystal planes CeO 2 follows the order of (110) < (100) < (111). The vacancy formation energies of the CeO 2 (111), (100) and (110) surfaces were calculated to follow the order of (111) > (100) > (110) while the catalytic activity follows the opposite order. The vacancy formation energies of the CeO 2 (111), (100) and (110) surfaces were calculated to follow the order of (111) > (100) > (110) while the catalytic activity follows the opposite order.…”

“…[ 41,42 ] Surface reducibility, an important characteristic of CeO 2 is closely associated with its catalytic performance that can be refl ected by the vacancy formation energy. Thus, in the view of different surfaces, the CeO 2 (111) surface is the most stable and thereby the most irreducible among the CeO 2 (111), (100) and (110) surfaces. Thus, in the view of different surfaces, the CeO 2 (111) surface is the most stable and thereby the most irreducible among the CeO 2 (111), (100) and (110) surfaces.…”

“…Fronzi et al presented DFT investigations of the bulk properties of CeO 2 and Ce 2 O 3 as well as the three low index surfaces of CeO 2 composed of (100), (110), and (111) using the approach of ab initio atomistic thermodynamics. As a case of reduction conditions, oxygen left the surface forming oxygen vacancy.…”

“…The vacant sites formation process was signifi cantly facilitated by a simultaneous condensation of two electrons into localized f -level traps on two Ce atoms. [ 54 ] The formation of an oxygen vacancy could be sensitive to the surface structure and were more favored for the (110) surface than for (111). Fronzi et al presented DFT investigations of the bulk properties of CeO 2 and Ce 2 O 3 as well as the three low index surfaces of CeO 2 composed of (100), (110), and (111) using the approach of ab initio atomistic thermodynamics.…”