Trends of Oxygen Reduction Reaction on Platinum Alloys: A Computational and Experimental Study

Lin, Syuan Pei; Wang, Kuan Wen; Liu, Chen Wei; Chen, Hong Shuo; Wang, Jeng Han

doi:10.1021/acs.jpcc.5b02849

Cited by 52 publications

(22 citation statements)

References 53 publications

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“…These adsorption energies can be tuned by alloying and thereby improve the catalytic activity compared to pure elements. [4][5][6][7][8][9] In this paper, we introduce a methodology for calculating adsorption energies on a class of complex alloys, namely high-entropy alloys (HEAs), which may be defined as near-equimolar alloys of five or more elements. [10][11][12] Such alloys were first discovered in 2004 but have drawn interest as catalytic materials only in the past couple of years.…”

Section: Introductionmentioning

confidence: 99%

High-Entropy Alloys as a Discovery Platform for Electrocatalysis

Batchelor

Pedersen

Winther

et al. 2019

Joule

650

620

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A theoretical method for finding active alloy electrocatalysts is proposed, and the method is applied to the electrochemical half-cell reaction of reducing oxygen to water, which is vital for improving the efficiency of, for example, hydrogen fuel cells. Our method predicts adsorption energies between reaction intermediates and the alloy surface to discover which sites on the surface are the most active. Starting from the multicomponent alloy IrPdPtRhRu, the alloy composition with best predicted catalytic activity is found.

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Section: Introductionmentioning

confidence: 99%

High-Entropy Alloys as a Discovery Platform for Electrocatalysis

Batchelor

Pedersen

Winther

et al. 2019

Joule

650

620

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“…In fact, the ∆E O descriptor can be considered an extension and application of the d-band center model in electrocatalysis, as the adsorption/binding energy of oxygen has been shown to correlate with the d states of the surface atoms to which the atom/molecule binds [13,37]. Generally, an upward shift of the d-band center to Fermi level results in a stronger binding [13,17,24]. However, both the d-band center model and the oxygen-binding energy descriptor have limitations [14,50,51].…”

Section: Correlation Of the Orr Activity With The Oxygen Binding Enermentioning

confidence: 99%

“…However, both the d-band center model and the oxygen-binding energy descriptor have limitations [14,50,51]. For example, Lin et al reported that the ORR activity of the Pt-cored alloy (Pt@M, M = Co, Cu, Pd, and Au) catalysts does not correlate well with the d-band center of surface Pt [17]. Yu et al showed that the binding energies of O do not always correlate with those of OH [52].…”

Section: Correlation Of the Orr Activity With The Oxygen Binding Enermentioning

confidence: 99%

“…Alloying platinum with inexpensive metals has been shown to maintain or improve the activity for the oxygen reduction reaction (ORR) while significantly reducing the cost [7][8][9][10][11][12]. Among inexpensive metals, 3d metals, including Ti [13,14], V [13,14], Cr [14], Mn [14], Fe [13][14][15][16], Co [13][14][15]17,18], Ni [13][14][15]19], and Cu [17,20,21] have been tested as a component of the electrocatalysts for ORR.…”

Section: Introductionmentioning

confidence: 99%

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Oxygen Reduction Reaction Catalyzed by Pt3M (M = 3d Transition Metals) Supported on O-doped Graphene

et al. 2020

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Pt3M (M = 3d transition metals) supported on oxygen-doped graphene as an electrocatalyst for oxygen reduction was investigated using the periodic density functional theory-based computational method. The results show that oxygen prefers to adsorb on supported Pt3M in a bridging di-oxygen configuration. Upon reduction, the O–O bond breaks spontaneously and the oxygen adatom next to the metal–graphene interface is hydrogenated, resulting in co-adsorbed O* and OH* species. Water formation was found to be the potential-limiting step on all catalysts. The activity for the oxygen reduction reaction was evaluated against the difference of the oxygen adsorption energy on the Pt site and the M site of Pt3M and the results indicate that the oxygen adsorption energy difference offers an improved prediction of the oxygen reduction activity on these catalysts. Based on the analysis, Pt3Ni supported on oxygen-doped graphene exhibits an enhanced catalytic performance for oxygen reduction over Pt4.

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“…And based on previous descriptions, ensemble effects occur with the presence of hetero-atoms on shell surfaces, meaning ensemble effects are present in core-shell electrocatalysts with alloy shells. As for M@Pt core-shell-structured electrocatalysts, all M atoms are in the subsurface and have no direct contact with adspecies; therefore, the activity of Pt shells is mainly affected by stain and electronic effects [600]. System studies focused on ensemble effects in core-shell-structured electrocatalysts with alloy shells cannot be found in literature for the purpose of this review but similar studies on alloyed [601,602] or decorated [603] electrocatalysts have been carried out by several groups, with the possibility that these investigated ensemble effects in alloy electrocatalysts can be used to explain the ensemble effects in core-shell-structured electrocatalysts.…”

Section: Ensemble Effectmentioning

confidence: 99%

Core–Shell-Structured Low-Platinum Electrocatalysts for Fuel Cell Applications

Wang

Luo

et al. 2018

Electrochem. Energ. Rev.

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Pt-based catalysts are the most efficient catalysts for low-temperature fuel cells. However, commercialization is impeded by prohibitively high costs and scarcity. One of the most effective strategies to reduce Pt loading is to deposit a monolayer or a few layers of Pt over other metal cores to form core-shell-structured electrocatalysts. In core-shell-structured electrocatalysts, the compositions of the core can be divided into five classes: single-precious metallic cores represented by Pd, Ru, and Au; singlenon-precious metallic cores represented by Cu, Ni, Co, and Fe; alloy cores containing 3d, 4d or 5d metals; and carbide and nitride cores. Of these, researchers have found that carbide and nitride cores can yield tremendous advantages over alloy cores in terms of cost and promotional activities of Pt shells. In addition, desirable shells with reasonable thicknesses and compositions have been recognized to play a dominant role in electrocatalytic performances. And recently, researchers have also found that the catalytic activity of core-shell-structured catalysts is dependent on the binding energy of the adsorbents, which is determined by the d-band center of Pt. The shifting of this d-band center in turn is mainly affected by strain and electronic effects, which can be adjusted by adjusting core compositions and shell thicknesses of catalysts. In the development of these core-shell structures, optimal synthesis methods are of primary concern because they directly determine the practical application potential of the resulting electrocatalysts. And in this article, the principles behind core-shell-structured low-Pt electrocatalysts and the developmental progresses of various synthesis methods along with the traits of each type of core and its effects on Pt shell catalytic activities are discussed. In addition, perspectives on this type of catalyst are discussed and future research directions are proposed.

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Trends of Oxygen Reduction Reaction on Platinum Alloys: A Computational and Experimental Study

Cited by 52 publications

References 53 publications

High-Entropy Alloys as a Discovery Platform for Electrocatalysis

High-Entropy Alloys as a Discovery Platform for Electrocatalysis

Oxygen Reduction Reaction Catalyzed by Pt3M (M = 3d Transition Metals) Supported on O-doped Graphene

Core–Shell-Structured Low-Platinum Electrocatalysts for Fuel Cell Applications

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