Catalytic activities of CeO2(110)–2 × 1 reconstructed surface

Zhang, Jie; Gong, Xue‐Qing; Lu, Guanzhong

doi:10.1016/j.susc.2014.10.009

Cited by 27 publications

(12 citation statements)

References 65 publications

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“…The convergence threshold of the electronic self-consistency was specified as 0.01 MeV, and the total energy change of the whole catalyst system between two ionic relaxation steps was designated as less than 0.02 eV. To accurately describe the Ce 4f orbitals, a Hubbard U term (DFT· U ) was involved in the first-principle computations, and the value of U was scaled to 4.5 eV, in accordance with previous research. − The cleaved CeO 2 {111} surface comprised a nine-layer slab (Ce 3 layers and O 6 layers; the bottom 3 layers were fixed) as well as a vacuum layer of 15 Å. As to the CeO 2 {110} surface, two of the total six layers were restricted.…”

Section: Experimental Methodsmentioning

confidence: 93%

Construction of Active Site in a Sintered Copper–Ceria Nanorod Catalyst

et al. 2019

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The construction of stable active site in nanocatalysts is of great importance but is a challenge in heterogeneous catalysis. Unexpectedly, coordination-unsaturated and atomically dispersed copper species were constructed and stabilized in a sintered copper–ceria catalyst through air-calcination at 800 °C. This sintered copper–ceria catalyst showed a very high activity for CO oxidation with a CO consumption rate of 6100 μmolCO·gCu –1·s–1 at 120 °C, which was at least 20 times that of other reported copper catalysts. Additionally, the excellent long-term stability was unbroken under the harsh cycled reaction conditions. Based on a comprehensive structural characterization and mechanistic study, the copper atoms with unsaturated coordination in the form of Cu1O3 were identified to be the sole active site, at which both CO and O2 molecules were activated, thus inducing remarkable CO oxidation activity with a very low copper loading (1 wt %).

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Section: Experimental Methodsmentioning

confidence: 93%

Construction of Active Site in a Sintered Copper–Ceria Nanorod Catalyst

et al. 2019

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“…Catalytic properties for CO oxidation CO is not only an important probe molecule for catalytic activity of heterogeneous catalysts, but also its oxidation has clear signicance in real application on environmental issues. 57 The catalytic performance for CO oxidation displayed by 1D-CeO 2 and 1D Ni-doped material with Ni doping #9 at.%, is shown in Fig. 9.…”

Section: Thermo-programmed Reduction (H 2 -Tpr)mentioning

confidence: 99%

High oxygen storage capacity and enhanced catalytic performance of NiO/Ni_xCe_1−xO_2−δ nanorods: synergy between Ni-doping and 1D morphology

Romero-Núñez

Díaz

2015

RSC Adv.

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“…The CeO 2 (110) surface has a higher surface energy and lower oxygen vacancy formation energy than the CeO 2 (111) surface . In addition, the CeO 2 (110) surface has a unique open plane structure which could provide different adsorption sites for mercury …”

Section: Introductionmentioning

confidence: 99%

“…18 In addition, the CeO 2 (110) surface has a unique open plane structure which could provide different adsorption sites for mercury. 25 The SO 3 concentration is much higher than Hg 0 in the flue gas, hence the presence of SO 3 will have a certain effect on the removal of Hg 0 . Many previous experimental studies have shown that SO 3 affects the catalytic oxidation of Hg 0 .…”

Section: Introductionmentioning

confidence: 99%

Preadsorbed SO₃ Inhibits Oxygen Atom Activity for Mercury Adsorption on Cu/Mn Doped CeO₂(110) Surface

et al. 2020

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The coadsorption of Hg 0 and SO 3 on pure and Cu/Mn doped CeO 2 (110) surfaces were investigated using the Density Functional Theory (DFT) method. A p (2 × 2) supercell periodic slab model with seven atomic layers was constructed to represent the CeO 2 (110) surface. The results indicated that Hg 0 physically adsorbed on the CeO 2 (110) surface, while Hg 0 chemically adsorbed on the Cu/Mn doped CeO 2 (110) surface, which agree well with the experimental results that Cu and Mn doped CeO 2 greatly improved the Hg 0 adsorption capacity of the adsorbent. The calculated results suggested that SO 3 more easily adsorbs on the above three surfaces than Hg 0 due to the higher adsorption energy. The adsorption configurations and electronic structures indicated SO 3 reacted with O atoms of the surface to form SO 4 2− species. Hence, SO 3 inhibits Hg 0 adsorption on the CeO 2 (110) surface by competing with Hg 0 for surface lattice oxygen. In addition, SO 3 decreased the activity of the surface O atoms, which directly caused the negative effect on Hg 0 adsorption.

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Catalytic activities of CeO2(110)–2 × 1 reconstructed surface

Cited by 27 publications

References 65 publications

Construction of Active Site in a Sintered Copper–Ceria Nanorod Catalyst

Construction of Active Site in a Sintered Copper–Ceria Nanorod Catalyst

High oxygen storage capacity and enhanced catalytic performance of NiO/Ni_xCe_1−xO_2−δ nanorods: synergy between Ni-doping and 1D morphology

Preadsorbed SO₃ Inhibits Oxygen Atom Activity for Mercury Adsorption on Cu/Mn Doped CeO₂(110) Surface

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Catalytic activities of CeO2(110)–2 × 1 reconstructed surface

Cited by 27 publications

References 65 publications

Construction of Active Site in a Sintered Copper–Ceria Nanorod Catalyst

Construction of Active Site in a Sintered Copper–Ceria Nanorod Catalyst

High oxygen storage capacity and enhanced catalytic performance of NiO/NixCe1−xO2−δ nanorods: synergy between Ni-doping and 1D morphology

Preadsorbed SO3 Inhibits Oxygen Atom Activity for Mercury Adsorption on Cu/Mn Doped CeO2(110) Surface

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Product

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High oxygen storage capacity and enhanced catalytic performance of NiO/Ni_xCe_1−xO_2−δ nanorods: synergy between Ni-doping and 1D morphology

Preadsorbed SO₃ Inhibits Oxygen Atom Activity for Mercury Adsorption on Cu/Mn Doped CeO₂(110) Surface