Exploration of atomic interfaces with inherent oxygen vacancies in zirconia for toluene oxidation

Yang, Xueqin; Chen, Lin; Yu, Xiaolin; Yu, Jing; Han, Dong; Xiao, Menglan; Ge, Maofa; Yang, Xin

doi:10.1039/d2ta06736f

Cited by 13 publications

(2 citation statements)

References 53 publications

(65 reference statements)

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“…After this, the research of SAC has been continuously developed. At present, the commonly synthetic methods include the impregnation method, [22,23] high-temperature pyrolysis method, [24,25] atomic layer deposition (ALD) method, [26][27][28] coprecipitation method, [29,30] etc. However, Pt resources are scarce and expensive, which makes it impossible for Pt SACs to achieve large-scale commercial applications.…”

Section: Introductionmentioning

confidence: 99%

Recent Progress of Ru Single‐Atom Catalyst: Synthesis, Modification, and Energetic Applications

Chen,

Yu,

Liu

et al. 2024

Adv Funct Materials

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In recent years, single‐atom catalysts (SACs) have become the most active part of the catalytic field due to their excellent catalytic activity. Among them, Ru SACs exhibit excellent performance in many catalytic applications due to their high atomic utilization efficiency, catalytic activity and selectivity, and relatively low cost. In order to understand the structure–performance relationship and potential catalytic mechanism of Ru SACs, this review summarizes the research progress of Ru SACs in the fields of electrocatalytic water splitting, fuel cells, nitrogen reduction, and nitrate reduction in recent years. The catalytic process of Ru single atom in different synthesis methods and modification strategies is summarized. Finally, some opportunities and challenges for the future development of Ru SACs are prospected.

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Section: Introductionmentioning

confidence: 99%

Recent Progress of Ru Single‐Atom Catalyst: Synthesis, Modification, and Energetic Applications

Chen,

Yu,

Liu

et al. 2024

Adv Funct Materials

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“…Particularly, tetragonal zirconia (t-ZrO 2 ), 8,18 mainly on the (111)8 plane, stands out among various metal oxides as a highly effective catalyst for ORR. 19,20 The catalytic effectiveness of zirconia relies on its stability in the tetragonal phase, which is attainable through doping, 21 induced oxygen vacancy (V O ), 22,23 and specific preparation techniques. For instance, increasing oxygen vacancy (V O ) concentration or combining ultrafine ZrO 2 nanoparticles (NPs) with nitrogen doping experimentally raised the onset potential for the (ORR).…”

Section: Introductionmentioning

confidence: 99%

Influence of Defects on Barrier Energy Formation for OOH* Intermediate in ORR on Tetragonal-ZrO₂ with Adsorbed-Hydroxyl

Fazeli,

Brault,

Caillard

et al. 2024

J. Phys. Chem. C

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Accelerating the oxygen reduction reaction (ORR) is a main subject of electrocatalysis research. A key ORR step involves creating a hydroperoxyl functional group (OOH*) intermediate. This study examines the defect influence on the formation of the OOH* in a zirconia-based cathode during hydroxyl group (−OH) adsorption. Simulations on tetragonal pristine ZrO 2 (111) surfaces with introduced oxygen vacancy (t-ZrO 2−x ) and nitrogen dopant (ZrO 2−x N x ) are conducted using density functional theory (DFT). Results suggest that oxynitride t-ZrO 2−x N x has minimal −OH adsorption, while under-stoichiometric oxide t-ZrO 2d − x shows the highest affinity, potentially influencing OOH* formation. Minimum energy pathway (MEP) analysis using the nudged elastic band (NEB) approach shows the defects' significant impact on adjusting the barrier energy for OOH* formation in the presence of the −OH group. Analyzing natural bond orbital (NBO) data offers insights into electron distribution during the formation of the OOH* intermediate in reaction mechanisms. Our study demonstrates a competition between ZrO 2−x N x and t-ZrO 2−x with OHadsorbed in ORR acceleration. OOH* is favored on ZrO 2−x N x due to its lower barrier energy, while the stability of the OOH* is higher on the Zr site of t-ZrO 2−x , potentially influencing subsequent ORR steps. These study findings provide key insights for researchers developing nonplatinum-based cathode materials.

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Co₃O₄‐Based Catalysts for the Low‐Temperature Catalytic Oxidation of VOCs

Xiao,

Zhao,

et al. 2024

ChemCatChem

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Volatile organic compounds (VOCs) are a significant source of environmental pollution, posing threats to human safety. With growing concerns about environmental degradation, catalytic oxidation technology emerges as a paramount and widely adopted approach for VOCs elimination, renowned for its operational simplicity, energy efficiency, and environmental friendliness. As a representative transition metal catalyst, cobalt‐based catalysts have garnered widespread use in VOCs catalytic oxidation due to their costeffectiveness, versatility, and distinctive physicochemical properties. This paper provides a detailed exposition of the construction strategies and structure‐activity relationship of Co3O4‐based catalysts in VOCs oxidation reaction, encompassing both monometallic Co3O4 and multimetallic cobalt‐based catalysts. Furthermore, it offers a comprehensive summary and discussion of the latest research progress concerning Co3O4‐based catalysts in practical applications. Concluding with a meticulous analysis, the paper addresses the technical challenges inherent in developing Co3O4‐based catalysts for VOCs degradation. Additionally, it proposes research directions aimed at overcoming these challenges, contributing to the ongoing discourse on environmental sustainability.

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Exploration of atomic interfaces with inherent oxygen vacancies in zirconia for toluene oxidation

Abstract: Constructing the interfacial sites in catalysts is an effective strategy to improve catalytic performance. Here, we insert cerium atoms into zirconia via a co-precipitation method. Cerium atom exists in the...

Cited by 13 publications

References 53 publications

Recent Progress of Ru Single‐Atom Catalyst: Synthesis, Modification, and Energetic Applications

Recent Progress of Ru Single‐Atom Catalyst: Synthesis, Modification, and Energetic Applications

Influence of Defects on Barrier Energy Formation for OOH* Intermediate in ORR on Tetragonal-ZrO₂ with Adsorbed-Hydroxyl

Co₃O₄‐Based Catalysts for the Low‐Temperature Catalytic Oxidation of VOCs

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Exploration of atomic interfaces with inherent oxygen vacancies in zirconia for toluene oxidation

Abstract: Constructing the interfacial sites in catalysts is an effective strategy to improve catalytic performance. Here, we insert cerium atoms into zirconia via a co-precipitation method. Cerium atom exists in the...

Cited by 13 publications

References 53 publications

Recent Progress of Ru Single‐Atom Catalyst: Synthesis, Modification, and Energetic Applications

Recent Progress of Ru Single‐Atom Catalyst: Synthesis, Modification, and Energetic Applications

Influence of Defects on Barrier Energy Formation for OOH* Intermediate in ORR on Tetragonal-ZrO2 with Adsorbed-Hydroxyl

Co3O4‐Based Catalysts for the Low‐Temperature Catalytic Oxidation of VOCs

Contact Info

Product

Resources

About

Influence of Defects on Barrier Energy Formation for OOH* Intermediate in ORR on Tetragonal-ZrO₂ with Adsorbed-Hydroxyl

Co₃O₄‐Based Catalysts for the Low‐Temperature Catalytic Oxidation of VOCs