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Rational design of efficient transition metal core-shell electrocatalysts for oxygen reduction and evolution reactions.

ABSTRACT: Ag can form core-shell structures with other non-precious transition metals, which is a promising candidate as an efficient and cost-effective electrocatalyst to replace Pt and RuO₂ for oxygen reduction and evolution reactions (ORR and OER) in fuel cells and metal-air batteries. In this paper, polyicosahedral (plh) Ag₃₂X₆ (X = 3d transition metals) core-shell structures are calculated systematically by the density functional theory (DFT) method to predict their electrocatalytic activities for ORR and OER. It is found that the strain on the outer shell of the core-shell structures can be an intrinsic descriptor that describes the bifunctional catalytic activities of the catalysts. A higher compressive strain leads to more positive charge on the surface of the shell and consequently higher catalytic activities. The results provide a theoretical base for the rational design and screening of the Ag-based core-shell catalysts for clean energy conversion and storage.

SUBMITTER: Zhao Z

PROVIDER: S-EPMC9059333 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

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Rational design of efficient transition metal core-shell electrocatalysts for oxygen reduction and evolution reactions.

Zhao Zhenghang Z D'Souza Jason J Chen Fuyi F Xia Zhenhai Z

RSC advances 20181201 1

Ag can form core-shell structures with other non-precious transition metals, which is a promising candidate as an efficient and cost-effective electrocatalyst to replace Pt and RuO2 for oxygen reduction and evolution reactions (ORR and OER) in fuel cells and metal-air batteries. In this paper, polyicosahedral (plh) Ag32X6 (X = 3d transition metals) core-shell structures are calculated systematically by the density functional theory (DFT) method to predict their e ...[more]

PMID: 35521622

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Project description:Ag-based electrocatalysts are promising candidates to catalyze the sluggish oxygen reduction reaction (ORR) in anion exchange membrane fuel cells (AEMFC) and oxygen evolution reaction (OER) in unitized regenerative fuel cells. However, to be competitive with existing technologies, the AEMFC with Ag electrocatalyst must demonstrate superior performance and long-term durability. The latter implies that the catalyst must be stable, withstanding harsh oxidizing conditions. Moreover, since Ag is typically supported by carbon, the strict stability requirements extend to the whole Ag/C catalyst. In this work, Ag supported on Vulcan carbon (Ag/VC) and mesoporous carbon (Ag/MC) materials is synthesized, and their electrochemical stability is studied using a family of complementary techniques. We first employ an online scanning flow cell combined with inductively coupled plasma mass spectrometry (SFC-ICP-MS) to estimate the kinetic dissolution stability window of Ag. Strong correlations between voltammetric features and the dissolution processes are discovered. Very high silver dissolution during the OER renders this material impractical for regenerative fuel cell applications. To address Ag stability during AEMFC load cycles, accelerated stress tests (ASTs) in O2-saturated solutions are carried out in rotating disk electrode (RDE) and rotating ring-disk electrode (RRDE) setups. Besides tracking the ORR performance evolution, an ex situ long-term Ag dissolution study is performed. Moreover, morphological changes in the catalyst/support are tracked by identical-location transmission electron microscopy (RDE-IL-TEM). Voltammetry analysis before and after AST reveals a smaller change in ORR activity for Ag/MC, confirming its higher stability. RRDE results reveal a higher increase in the H2O2 yield for Ag/VC after the ASTs. The RDE-IL-TEM measurements demonstrate different degradation processes that can explain the changes in the long term performance. The results in this work point out that the stability of carbon-supported Ag catalysts depends strongly on the morphology of the Ag nanoparticles, which, in turn, can be tuned depending on the chosen carbon support and synthesis method.

Dataset Information

Rational design of efficient transition metal core-shell electrocatalysts for oxygen reduction and evolution reactions.

Publications

Rational design of efficient transition metal core-shell electrocatalysts for oxygen reduction and evolution reactions.

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