Recent advances in electrocatalytic ammonia synthesis

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION), Год журнала: 2023, Номер 50, С. 6 - 44

Опубликована: Июль 1, 2023

Язык: Английский

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Design of novel transition-metal-doped C4N4 as highly effective electrocatalysts for nitrogen fixation with a new intrinsic descriptor

Journal of Energy Chemistry, Год журнала: 2023, Номер 84, С. 131 - 139

Опубликована: Июнь 1, 2023

Язык: Английский

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CxNy-based materials as gas sensors: Structure, performance, mechanism and perspective

Coordination Chemistry Reviews, Год журнала: 2024, Номер 503, С. 215653 - 215653

Опубликована: Янв. 9, 2024

Carbon nitride (CxNy) materials, characterized by an ordered two-dimensional without metal ions structure high N:C ratio, phase transition transformation, predispose them for promising applications in catalytic reaction, flexible electronics, broadband photodetectors and battery. However, up to now, its potential advantages gas sensor have yet be fully explored. This review provides a comprehensive overview of recent advances CxNy-based materials applied as substrates covering structure, properties, synthesis methods, enhancement strategies. A rigorous assessment their sensing capabilities, including sensitivity, selectivity, stability was critically summarized. Additionally, the molecule-level mechanistic aspects underlying gas-sensing working principles insights into functional properties were discussed. Furthermore, thorough investigations utilizing density theory (DFT) studies, aimed illuminating fundamental governing behavior presented detail. Finally, futuristic along with challenges CxNy deliberated herein.

Язык: Английский

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Advancing electrocatalytic reactions through mapping key intermediates to active sites via descriptors

Chemical Society Reviews, Год журнала: 2024, Номер 53(14), С. 7392 - 7425

Опубликована: Янв. 1, 2024

Descriptors play a crucial role in electrocatalysis as they can provide valuable insights into the electrochemical performance of energy conversion and storage processes. They allow for understanding different catalytic activities enable prediction better catalysts without relying on time-consuming trial-and-error approaches. Hence, this comprehensive review focuses highlighting significant advancements commonly used descriptors critical electrocatalytic reactions. First, fundamental reaction processes key intermediates involved several reactions are summarized. Subsequently, three types classified introduced based catalysts. These include d-band center descriptors, readily accessible intrinsic property spin-related all which contribute to profound behavior. Furthermore, multi-type that collectively determine also Finally, we discuss future envisioning their potential integrate multiple factors, broaden application scopes, synergize with artificial intelligence more efficient catalyst design discovery.

Язык: Английский

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From Single Metals to High‐Entropy Alloys: How Machine Learning Accelerates the Development of Metal Electrocatalysts

Advanced Functional Materials, Год журнала: 2024, Номер 34(34)

Опубликована: Апрель 25, 2024

Abstract The rapid advancement of high‐performance computing and artificial intelligence technology has opened up novel avenues for the development various metal electrocatalysts. In particular, dilute high‐entropy alloys have garnered significant attention owing to their unique electronic spatial structures, as well exceptional electrocatalytic performance. Commencing with exploration single‐atom alloy catalysts, latest advancements in machine learning (ML) techniques are presented efficient screening a broad spectrum spaces. Subsequently, review delves into prevailing trend research, focusing specifically on rare‐metal electrocatalysts, offers an overview progress outcomes achieved through application ML these domains. Finally, highlighted promising category electrocatalysts underscore importance potential applications addressing complex challenging research issues underscored.

Язык: Английский

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Theoretical inspection of high-efficiency single-atom catalysts based on π-π conjugated holey graphitic g-C7N3 monolayer: Marvelous water-splitting and oxygen reduction reactions activities

Journal of Material Science and Technology, Год журнала: 2024, Номер 198, С. 143 - 157

Опубликована: Март 26, 2024

Язык: Английский

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Nickel molybdenum selenide on carbon cloth as an efficient bifunctional electrocatalyst for alkaline seawater splitting

Fuel, Год журнала: 2024, Номер 365, С. 131251 - 131251

Опубликована: Фев. 26, 2024

Язык: Английский

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Single-atom catalytic N2 fixation with integrated descriptors on a novel π-π conjugated graphitic carbon nitride (g-C13N15) platform obtained by self-doping design: Prediction of ultrahigh activity and desirable selectivity

Journal of Power Sources, Год журнала: 2024, Номер 595, С. 234030 - 234030

Опубликована: Янв. 11, 2024

Язык: Английский

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Single transition-metal atoms anchored on a novel Dirac-dispersive π-π conjugated holey graphitic carbon nitride substrate: computational screening toward efficient bifunctional OER/ORR electrocatalysts

Rare Metals, Год журнала: 2024, Номер 43(8), С. 3819 - 3832

Опубликована: Апрель 29, 2024

Язык: Английский

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Single-, Double-, and Triple-atom Catalysts on PC6 for Nitrate Reduction to Ammonia: A Computational Screening

Electrochimica Acta, Год журнала: 2024, Номер 504, С. 144915 - 144915

Опубликована: Авг. 15, 2024

Язык: Английский

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