Oxygen vacancy mediated CuyCo3-yFe1Ox mixed oxide as highly active and stable toluene oxidation catalyst by multiple phase interfaces formation and metal doping effect

Li, Zhe; Yan, Qinghua; Jiang, Qian; Gao, Yanshan; Xue, Tianshan; Li, Renna; Liu, Yuefeng; Wang, Qiang

doi:10.1016/j.apcatb.2020.118827

Cited by 139 publications

(81 citation statements)

References 56 publications

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“…But all those calculations show that the adsorption at the 2O_bridge site is much stronger than that at the Zn_on-top site, independent of the U values examined here, as shown in Figure S5 of the SI. Although the propene adsorption at the metal site through the CC double bond has been reported in many works, 18,23,45 the similar O-bound propene adsorption structure has been recently reported in the experimental and theoretical work of C3−C4 alkane and alkene oxidation on YMn 2 O 5 . 35 The C α and C β positive atomic charges of propene moderately decrease by the propene adsorption at the Zn_on-top site but considerably increase at the other adsorption sites, as shown by Δq C α + C β in Table 1, where C α and C β are defined in Scheme 2 and shown in Figure 1.…”

Section: Computational Details and Modelssupporting

confidence: 55%

“…44 Cu-doped Co 3 Fe 1 O x is highly active for toluene oxidation. 45 These works suggest that the electronic structure and catalytic activity of the MCr 2 O 4 spinel could be improved by the metal-doping technique. However, details have been unclear about the mechanism through which the metal-dopant accelerates O V formation to improve catalytic activity for alkene combustion and whether the metal-dopant accelerates or suppresses the other important elementary steps in alkene combustion.…”

Section: Introductionmentioning

confidence: 98%

“…Here, we have to remember that metal doping is one of the effective methods to improve the reactivity of metal oxide for O V formation. Indeed, the metal-doping technique has been applied to metal oxide catalysts. − For instance, a Co-doped MnO 2 nanofiber was found to be highly active for propane combustion . A Co-doped LaMnO 3 perovskite catalyst has been applied to propane combustion; in this catalyst, the cobalt-dopant improves the catalytic activity by producing abundant reactive oxygen species.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical Study of the Propene Combustion Catalysis of Chromite Spinels: Reaction Mechanism and Relation between the Activity and Electronic Structure of Spinels

et al. 2021

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Oxides of base-metal elements play an important role as catalysts in alkene combustion, but correct knowledge of the reaction mechanism and determination factors for activity remains elusive. Herein, we report a systematic study of propene combustion catalyzed by ZnCr2O4(111) as one example using DFT + U calculations. The combustion occurs through three parallel reaction pathways starting from C–H σ-bond cleavage. In each pathway, acetate, carbonate, or formate is formed as a key intermediate, which is consistent with the experimental detection of several different kinds of intermediates in propene combustion. Effects of tetrahedral metal (MTd) and octahedral metal (MOh) atoms on the catalytic activity are discussed by comparing propene combustion by MgCr2O4(111), Cu-doped ZnCr2O4(111) (named Zn1 – x Cu x Cr2O4(111)), and Co-doped ZnCr2O4(111) (named ZnCr2 – x Co x O4(111)) with that by ZnCr2O4(111). Catalytic activity increases in the order MgCr2O4(111) < Zn1 – x Cu x Cr2O4(111) < ZnCr2O4(111) < ZnCr2 – x Co x O4(111). The higher activity of ZnCr2O4(111) than that of MgCr2O4(111) agrees with the experimental findings. ZnCr2 – x Co x O4(111) is computationally predicted here to be more active than ZnCr2O4(111) which has been experimentally used as a good catalyst. Based on computational findings, a discussion is presented on the relation between the activity and electronic structure of spinels.

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Section: Computational Details and Modelssupporting

confidence: 55%

Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

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Theoretical Study of the Propene Combustion Catalysis of Chromite Spinels: Reaction Mechanism and Relation between the Activity and Electronic Structure of Spinels

et al. 2021

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“…In general, resonate peaks in ESR curve can be discerned due to the electrons trapped on oxygen vacancies. [60][61][62] However, the peaks were absence in curves but an interesting phenomenon was discovered instead. It should be noted that ESR is not only known to be a very sensitive method to probe paramagnetic centers but also to microwave absorption.…”

Section: Resultsmentioning

confidence: 99%

Defect Induced Polarization Loss in Multi‐Shelled Spinel Hollow Spheres for Electromagnetic Wave Absorption Application

2021

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Defect engineering is an effective approach to manipulate electromagnetic (EM) parameters and enhance absorption ability, but defect induced dielectric loss dominant mechanism has not been completely clarified. Here the defect induced dielectric loss dominant mechanism in virtue of multi-shelled spinel hollow sphere for the first time is demonstrated. The unique but identical morphology design as well as suitable composition modulation for serial spinels can exclude the disturbance of EM wave dissipation from dipolar/interfacial polarization and conduction loss. In temperature-regulated defect in NiCo 2 O 4 serial materials, two kinds of defects, defect in spinel structure and oxygen vacancy are detected. Defect in spinel structure played more profound role on determining materials' EM wave dissipation than that of oxygen vacancy. When evaluated serial Co-based materials as absorbers, defect induced polarization loss is responsible for the superior absorption performance of NiCo 2 O 4 -based material due to its more defect sites in spinel structure. It is discovered that electron spin resonance test may be adopted as a novel approach to directly probe EM wave absorption capacities of materials. This work not only provides a strategy to prepare lightweight, efficient EM wave absorber but also illustrates the importance of defect engineering on regulation of materials' dielectric loss capacity.

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“…It can cause cancer, throat irritation, respiratory issues, and so on. [ 1 ] Therefore, the elimination technologies of VOCs have attracted extensive attention in the worldwide scale. Nowadays, many methods have been developed to remove VOCs, such as photocatalytic degradation, [ 2 ] catalytic oxidation, [ 3 ] biological degradation, [ 4 ] and adsorption.…”

Section: Introductionmentioning

confidence: 99%

Preparation of mesoporous Ce_xCoO as highly effective catalysts for toluene combustion: The synergetic effects of structural template and Ce doping

Liu

Fan

Song

2020

Applied Organom Chemis

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Cobalt-based catalyst, as a typical catalyst for volatile organic compounds (VOCs) combustion, has attracted extensive attention. However, the catalytic activity of pure Co 3 O 4 is difficult to meet the requirements of practical application especially at low temperatures. Therefore, it is key to find an effective way to improve the catalytic performance of Co 3 O 4. In this paper, Co 3 O 4 is modified by engineering a combination of structural template and Ce dopant. The various characterization results verify that the template agent and the doping of appropriate Ce lead to great changes in the texture property and low temperature reducibility of Co 3 O 4 , thus resulting in superior catalytic performances of obtained mesoporous Ce x CoO catalysts. In particular, the best catalyst, Ce 0.05 CoO, achieves a toluene conversion of T 90% at 238 C, which is significantly lower than many of the Co-based catalysts reported in previous literatures. Furthermore, the toluene conversion rate maintains above 90% during 100 h at 238 C. The excellent catalytic performance of Ce 0.05 CoO can be attributed to its large specific surface area, uniform pore structure, good low temperature reducibility, and abundant surface oxygen species.

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Oxygen vacancy mediated CuyCo3-yFe1Ox mixed oxide as highly active and stable toluene oxidation catalyst by multiple phase interfaces formation and metal doping effect

Cited by 139 publications

References 56 publications

Theoretical Study of the Propene Combustion Catalysis of Chromite Spinels: Reaction Mechanism and Relation between the Activity and Electronic Structure of Spinels

Theoretical Study of the Propene Combustion Catalysis of Chromite Spinels: Reaction Mechanism and Relation between the Activity and Electronic Structure of Spinels

Defect Induced Polarization Loss in Multi‐Shelled Spinel Hollow Spheres for Electromagnetic Wave Absorption Application

Preparation of mesoporous Ce_xCoO as highly effective catalysts for toluene combustion: The synergetic effects of structural template and Ce doping

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Oxygen vacancy mediated CuyCo3-yFe1Ox mixed oxide as highly active and stable toluene oxidation catalyst by multiple phase interfaces formation and metal doping effect

Cited by 139 publications

References 56 publications

Theoretical Study of the Propene Combustion Catalysis of Chromite Spinels: Reaction Mechanism and Relation between the Activity and Electronic Structure of Spinels

Theoretical Study of the Propene Combustion Catalysis of Chromite Spinels: Reaction Mechanism and Relation between the Activity and Electronic Structure of Spinels

Defect Induced Polarization Loss in Multi‐Shelled Spinel Hollow Spheres for Electromagnetic Wave Absorption Application

Preparation of mesoporous CexCoO as highly effective catalysts for toluene combustion: The synergetic effects of structural template and Ce doping

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Preparation of mesoporous Ce_xCoO as highly effective catalysts for toluene combustion: The synergetic effects of structural template and Ce doping