Atomic-Scale Design of High-Performance Pt-Based Electrocatalysts for Oxygen Reduction Reaction

Ying, Jie

doi:10.3389/fchem.2021.753604

Cited by 11 publications

(6 citation statements)

References 67 publications

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“…Pt-based nanoframe catalysts have been regarded as promising electrocatalysts in recent years. − Nanoframes with hollow nanostructures can render large accessible surfaces, showing high catalytic activity compared with conventional catalysts. As will be discussed in section , although the d-band center of the surface atoms of Pt 3 Ni(111) is close to the ideal value for ORR activity, this ideal electronic structure cannot be obtained for the nanoparticulate state of Pt 3 Ni.…”

Section: Catalyst Designmentioning

confidence: 99%

Catalysis of Alloys: Classification, Principles, and Design for a Variety of Materials and Reactions

Nakaya

Furukawa

2022

Chem. Rev.

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Alloying has long been used as a promising methodology to improve the catalytic performance of metallic materials. In recent years, the field of alloy catalysis has made remarkable progress with the emergence of a variety of novel alloy materials and their functions. Therefore, a comprehensive disciplinary framework for catalytic chemistry of alloys that provides a cross-sectional understanding of the broad research field is in high demand. In this review, we provide a comprehensive classification of various alloy materials based on metallurgy, thermodynamics, and inorganic chemistry and summarize the roles of alloying in catalysis and its principles with a brief introduction of the historical background of this research field. Furthermore, we explain how each type of alloy can be used as a catalyst material and how to design a functional catalyst for the target reaction by introducing representative case studies. This review includes two approaches, namely, from materials and reactions, to provide a better understanding of the catalytic chemistry of alloys. Our review offers a perspective on this research field and can be used encyclopedically according to the readers' individual interests. CONTENTS

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Section: Catalyst Designmentioning

confidence: 99%

Catalysis of Alloys: Classification, Principles, and Design for a Variety of Materials and Reactions

Nakaya

Furukawa

2022

Chem. Rev.

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“…Pt-based nanostructures are the most popular and universally available electrocatalysts owing to the special 5d orbital structure of Pt, which makes it highly active [1][2][3][4][5][6][7][8][9][10][11][12]. However, nanosized Pt is vulnerable to aggregation, oxidation, dissolution and Ostwald ripening, resulting in a decrease of activity and stability of Pt catalysts.…”

Section: Introductionmentioning

confidence: 99%

Pt–C interactions in carbon-supported Pt-based electrocatalysts

Xiao

Ying

Liu

et al. 2023

Front. Chem. Sci. Eng.

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Carbon-supported Pt-based materials are highly promising electrocatalysts. The carbon support plays an important role in the Pt-based catalysts by remarkably influencing the growth, particle size, morphology, dispersion, electronic structure, physiochemical property and function of Pt. This review summarizes recent progress made in the development of carbon-supported Pt-based catalysts, with special emphasis being given to how activity and stability enhancements are related to Pt–C interactions in various carbon supports, including porous carbon, heteroatom doped carbon, carbon-based binary support, and their corresponding electrocatalytic applications. Finally, the current challenges and future prospects in the development of carbon-supported Pt-based catalysts are discussed.

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“…Currently, platinum (Pt) and Pt-containing materials serve as catalysts to hasten the rate of the ORR mechanism in fuel cells. − Unfortunately, commercialization of Pt and Pt-based catalysts is limited by the unfavorable price, scarcity, and reliability as Pt is a too expensive and rare material (only 5 μg/kg), and it has poison sensitivity i.e., low stability. − Various non-noble metal-based catalysts which have improved activity in comparison to Pt have also been discovered as a result of the search for improved ORR catalysts. Different metals have been examined in this endeavor, either in their pure form or by alloying with other metals.…”

Section: Introductionmentioning

confidence: 99%

Unraveling the Electrocatalytic Activity of Platinum Doped Zirconium Disulfide toward the Oxygen Reduction Reaction

Singh

Pakhira

2022

Energy Fuels

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The O2 reduction reaction (ORR) is one of the important reactions and the heart of renewable energy technology, ranging from fuel cells to metal-air batteries, and it is a large and challenging task to build a cost-effective and efficient cathodic material for the electrocatalytic ORR. We computationally designed Pt-doped 2D monolayer zirconium disulfide (i.e., Pt-ZrS2) transition metal dichalcogenides (TMDs) and studied the electronic and structural properties by employing the hybrid periodic Density Functional Theory (DFT-D) method with van der Waals dispersion corrections. The electronic properties calculations suggest the semiconducting character of Pt-ZrS2 with the electronic band gap of 1.95 eV which is an essential aspect in studying the ORR mechanism. The basal plane of 2D Pt-ZrS2 shows exceptional electrocatalytic activities toward the ORR with a high four-electron (4e–) reduction reaction pathway selectivity. Here, the detailed ORR pathway with the mechanism was envisaged on the surfaces of 2D monolayer Pt-ZrS2 TMD by employing the same DFT-D method. Both the dissociative (O2* → 2O*) and associative (O2* → O_OH*) ORR mechanisms have been investigated, and it was found that only the dissociative reaction path is favorable. The adsorption energy has been calculated in each intermediate state during the ORR which guides us to predict the potential of Pt-ZrS2 as an effective electrocatalyst for the ORR. This study reveals that substituting a Zr atom in the 2 × 2 supercell of the monolayer ZrS2 with a Pt atom activates the inert basal planes, advancing to its superior electrochemical reactivity for boosting the molecular O2 and successive ORR steps. Therefore, Pt-ZrS2 can be used to design 2D cathode material for fuel cell contents.

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Atomic-Scale Design of High-Performance Pt-Based Electrocatalysts for Oxygen Reduction Reaction

Cited by 11 publications

References 67 publications

Catalysis of Alloys: Classification, Principles, and Design for a Variety of Materials and Reactions

Catalysis of Alloys: Classification, Principles, and Design for a Variety of Materials and Reactions

Pt–C interactions in carbon-supported Pt-based electrocatalysts

Unraveling the Electrocatalytic Activity of Platinum Doped Zirconium Disulfide toward the Oxygen Reduction Reaction

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