Tuning OER Electrocatalysts toward LOM Pathway through the Lens of Multi-Descriptor Feature Selection by Artificial Intelligence-Based Approach

Adamu, Haruna; Abba, S.I.; Anyin, Paul Betiang; Sani, Yusuf; Yamani, Zain H.; Qamar, Mohammad

doi:10.1021/acsmaterialslett.2c00734

Cited by 17 publications

(8 citation statements)

References 173 publications

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“…First, theoretical approaches based on the volcano-scaling relation can help prioritize highly active atoms, structural phases, and compositions. It is noteworthy that recent advancements have introduced artificial-intelligence-based theoretical prediction for catalyst design. − As mentioned above, the predicted OER activity can be further improved by departing from the constraints of the volcano-scaling relationship through the implementation of various design strategies. Furthermore, to provide informative insights into the effectiveness of the design strategy, we have compiled a list of the most active Ir- and Ru-based acidic OER catalysts and their corresponding electrocatalytic parameters, as shown in Table .…”

Section: Summary and Perspectivesmentioning

confidence: 99%

Design Strategies of Active and Stable Oxygen Evolution Catalysts for Proton Exchange Membrane Water Electrolysis

Lee,

Lim,

Seo

et al. 2023

Energy Fuels

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Proton exchange membrane water electrolyzers (PEMWEs) hold great promise for the efficient production of clean hydrogen, which is vital for the transition of the current hydrocarbon-based energy infrastructure to a sustainable, circular energy future. The efficiency of a PEMWE relies heavily on the performance of the oxygen evolution reaction (OER) at the anode. Accordingly, the development of highly active and stable OER catalysts under acidic conditions is crucial for the practical implementation of PEMWEs. Herein, we present recent advances in efficient acidic OER catalysts, focusing on their rational design and in situ characterization. We illustrate representative synthetic strategies that can boost the intrinsic activity, extrinsic activity, and stability of acidic OER catalysts. Next, we discuss state-of-the-art in situ characterization techniques that enable the identification of active catalytic sites and an understanding of the OER pathways. Finally, we summarize the OER activities of high-performance catalysts in half- and single-cell configurations, providing meaningful insights into bridging the gap between the laboratory-scale development of a new catalyst and its device-level implementation for PEMWEs.

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Section: Summary and Perspectivesmentioning

confidence: 99%

Design Strategies of Active and Stable Oxygen Evolution Catalysts for Proton Exchange Membrane Water Electrolysis

Lee,

Lim,

Seo

et al. 2023

Energy Fuels

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“…be screened out accurately, which is expected to increase the efficiency of material design. [172][173][174] Unfortunately, there is still a lack of application of AI or ML in screening doped spinel oxides for acidic OER.…”

Section: Elemental Dopingmentioning

confidence: 99%

“…With the development of artificial intelligence (AI) and machine learning (ML) techniques, the possible efficient spinel oxides–based acidic OER performance with different dopants can be screened out accurately, which is expected to increase the efficiency of material design. [ 172–174 ] Unfortunately, there is still a lack of application of AI or ML in screening doped spinel oxides for acidic OER.…”

Section: Optimization Strategies For Spinel Oxidesmentioning

confidence: 99%

Spinel‐Type Oxides for Acidic Oxygen Evolution Reaction: Mechanism, Modulation, and Perspective

Lin,

Fu,

Wang

et al. 2023

Adv Energy and Sustain Res

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The development of proton exchange membrane water electrolyzers (PEMWEs) is primarily challenged by the slow and unstable oxygen evolution reaction (OER) at the anode. Thus, the pursuit of low‐cost, highly efficient, and durable electrocatalysts is the foundation for the widespread adoption of PEMWEs. In the past few decades, various types of electrocatalysts are proposed to serve as anode materials for acidic OER, but only a few demonstrate catalytic activity and stability comparable to iridium‐ and ruthenium‐based electrocatalysts. In recent years, some transition‐metal oxides are studied as potential candidates for acidic OER. For instance, spinel‐type oxides, e.g., Co3O4, and corresponding compounds demonstrate promise due to the rich coordination structure of metallic ions and moderate adoption energy for intermedia. In this review, recent advances in spinel‐type oxides for acidic OER are summarized. First, a fundamental understanding of reaction mechanisms for OER in acidic media is introduced. Thereafter, recent progress in rational design principles and optimization strategies for spinel oxides is systematically summarized. Finally, challenges and perspectives for the development of spinel‐based acidic OER electrocatalysts are discussed.

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“…This way and with the aid of artificial intelligence systems, through screening and theoretical studies of different kinds of electrocatalysts as well as with fine‐tuning the redox electrochemistry and surface properties of nanomaterials, engineering of LOM‐based electrocatalysts can be achieved. [ 32 ] Regarding the surface properties and according to a recent review, the role of defects was highlighted, aiding in the adsorption or even formation of intermediates of a mechanism, and since it plays significant part in overall efficiency, strategies that introduce defects should be followed. [ 33 ] Moreover, it has been proved that neutral or semi‐neutral conditions could be to some avail, as there is a chance to diminish both corrosion and instability issues due to harsh acidic or alkaline environment as well as, in the context of practical applications, eliminate the use of membrane separators, eventually lowering the overall operational cost.…”

Section: Overviewmentioning

confidence: 99%

Exfoliated Transition Metal Dichalcogenide‐Based Electrocatalysts for Oxygen Evolution Reaction

Minadakis

Tagmatarchis

2023

Advanced Sustainable Systems

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The oxygen evolution reaction (OER) has proved to be a hard‐to‐overlook impediment for the development of water splitting devices, metal‐air batteries, or photo‐electrochemical cells, to name but a few. Electro‐ and photo‐electrocatalysts, designed using inexpensive materials, that demand low overpotential values to smoothly drive OER in either electrolyzer devices or proton‐exchange membrane cells, as well as withstand harsh conditions and repetitive cycling, are fervently desired by the industry. Transition metal dichalcogenides (TMDs), namely MoS2, WS2, MoSe2 and WSe2 as the main representatives, especially when engineered via exfoliation methods, have been highlighted as modular scaffolds for electrocatalytic applications, owed to their ability to have their intrinsic characteristics fine‐tuned. In this review, the goal is to highlight the role of exfoliation, as a means of ability engineering, by presenting significant works where these TMDs constitute the core part for OER‐catalyzing nanohybrid systems.

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Tuning OER Electrocatalysts toward LOM Pathway through the Lens of Multi-Descriptor Feature Selection by Artificial Intelligence-Based Approach

Cited by 17 publications

References 173 publications

Design Strategies of Active and Stable Oxygen Evolution Catalysts for Proton Exchange Membrane Water Electrolysis

Design Strategies of Active and Stable Oxygen Evolution Catalysts for Proton Exchange Membrane Water Electrolysis

Spinel‐Type Oxides for Acidic Oxygen Evolution Reaction: Mechanism, Modulation, and Perspective

Exfoliated Transition Metal Dichalcogenide‐Based Electrocatalysts for Oxygen Evolution Reaction

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