Design concept for electrocatalysts

Nano Research, Год журнала: 2021, Номер 15(3), С. 1730 - 1752

Опубликована: Сен. 4, 2021

Язык: Английский

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Theory-oriented screening and discovery of advanced energy transformation materials in electrocatalysis

Advanced Powder Materials, Год журнала: 2021, Номер 1(1), С. 100013 - 100013

Опубликована: Ноя. 15, 2021

Various metal-based electrocatalysts from nanocrystals, to clusters and single-atoms, have been well-discovered towards high-efficient power devices electrocatalytic conversion. To accelerate energy transformation materials discovery, developing high-throughput DFT calculations machine-learning techniques is of great necessity. This review comprehensively outlines the latest progress theory-guided design advanced materials. Especially, we focus on study single atoms in various devices, such as fuel cell (oxygen reduction reaction, ORR; acid oxidation reaction; alcohol reaction), other reactions for energy-related conversion small molecules, H2O2 evolution (2e− ORR), water splitting (H2 reaction/O2 HER/OER), N2 reaction (NRR), CO2 (CO2RR). Firstly, electronic structure, interaction mechanism, activation path are discussed provide an overall blueprint electrocatalysis batteries mentioned above. Thereafter, experimental synthesis strategies, structural recognition, performance figured out. Finally, some viewpoints into current issues future concept provided.

Язык: Английский

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The Progress and Outlook of Metal Single-Atom-Site Catalysis

Journal of the American Chemical Society, Год журнала: 2022, Номер 144(40), С. 18155 - 18174

Опубликована: Сен. 29, 2022

Single-atom-site catalysts (SASCs) featuring maximized atom utilization and isolated active sites have progressed tremendously in recent years as a highly prosperous branch of catalysis research. Varieties SASCs been developed that show excellent performance many catalytic applications. The major goal SASC research is to establish feasible synthetic strategies for the preparation high-performance catalysts, achieve an in-depth understanding active-site structures mechanisms, develop practical with industrial value. This Perspective describes up-to-date development related such dual-atom-site (DASCs) nano-single-atom-site (NSASCs), analyzes current challenges encountered by these applications, proposes their possible future path.

Язык: Английский

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Superiority of Dual‐Atom Catalysts in Electrocatalysis: One Step Further Than Single‐Atom Catalysts

Advanced Energy Materials, Год журнала: 2022, Номер 12(9)

Опубликована: Янв. 18, 2022

Abstract In recent years, dual‐atom catalysts (DACs) have attracted extensive attention, as an extension of single‐atom (SACs). Compared with SACs, DACs higher metal loading and more complex flexible active sites, thus achieving better catalytic performance providing opportunities for electrocatalysis. This review introduces the research progress in years on how to design new enhance Firstly, advantages increasing are introduced. Then, role changing adsorption condition reactant molecules atoms is discussed. Moreover, ways which can reduce reaction energy barrier key steps change path explored. Catalytic applications different electrocatalytic reactions, including carbon dioxide reduction reaction, oxygen evolution hydrogen nitrogen followed. Finally, a brief summary made challenges prospects

Язык: Английский

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Regulations of active moiety in single atom catalysts for electrochemical hydrogen evolution reaction

Nano Research, Год журнала: 2022, Номер 15(7), С. 5792 - 5815

Опубликована: Май 4, 2022

Язык: Английский

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Emerging low-nuclearity supported metal catalysts with atomic level precision for efficient heterogeneous catalysis

Nano Research, Год журнала: 2022, Номер 15(9), С. 7806 - 7839

Опубликована: Июнь 2, 2022

Язык: Английский

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Atomically dispersed materials: Ideal catalysts in atomic era

Nano Research, Год журнала: 2023, Номер 17(1), С. 18 - 38

Опубликована: Май 25, 2023

Язык: Английский

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High-Density Cobalt Single-Atom Catalysts for Enhanced Oxygen Evolution Reaction

Journal of the American Chemical Society, Год журнала: 2023, Номер 145(14), С. 8052 - 8063

Опубликована: Март 30, 2023

Single atom catalysts (SACs) possess unique catalytic properties due to low-coordination and unsaturated active sites. However, the demonstrated performance of SACs is limited by low SAC loading, poor metal-support interactions, nonstable performance. Herein, we report a macromolecule-assisted synthesis approach that enabled us demonstrate high-density Co single atoms (10.6 wt % SAC) in pyridinic N-rich graphenic network. The highly porous carbon network (surface area ∼186 m2 g-1) with increased conjugation vicinal site decoration significantly enhanced electrocatalytic oxygen evolution reaction (OER) 1 M KOH (η10 at 351 mV; mass activity 2209 mA mgCo-1 1.65 V) more than 300 h stability. Operando X-ray absorption near-edge structure demonstrates formation electron-deficient Co-O coordination intermediates, accelerating OER kinetics. Density functional theory (DFT) calculations reveal facile electron transfer from cobalt species-accelerated OER.

Язык: Английский

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Microenvironment Engineering of Single/Dual‐Atom Catalysts for Electrocatalytic Application

Advanced Materials, Год журнала: 2023, Номер 35(31)

Опубликована: Фев. 23, 2023

Single/dual-metal atoms supported on carbon matrix can be modulated by coordination structure and neighboring active sites. Precisely designing the geometric electronic uncovering structure-property relationships of single/dual-metal confront with grand challenges. Herein, this review summarizes latest progress in microenvironment engineering single/dual-atom sites via a comprehensive comparison single-atom catalyst (SACs) dual-atom catalysts (DACs) term design principles, modulation strategy, theoretical understanding structure-performance correlations. Subsequently, recent advances several typical electrocatalysis process are discussed to get general reaction mechanisms finely-tuned SACs DACs. Finally, full-scaled summaries challenges prospects given for This will provide new inspiration development atomically dispersed electrocatalytic application.

Язык: Английский

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Tailoring the Electronic Structure of an Atomically Dispersed Zinc Electrocatalyst: Coordination Environment Regulation for High Selectivity Oxygen Reduction

Angewandte Chemie International Edition, Год журнала: 2021, Номер 61(2)

Опубликована: Окт. 30, 2021

Accurately regulating the selectivity of oxygen reduction reaction (ORR) is crucial to renewable energy storage and utilization, but challenging. A flexible alteration ORR pathways on atomically dispersed Zn sites towards high can be achieved by tailoring coordination environment catalytic centers. The catalysts with unique O- C-coordination structure (ZnO3 C) or N-coordination (ZnN4 ) prepared varying functional groups corresponding MOF precursors. as-prepared was confirmed X-ray absorption fine (XAFs). Notably, ZnN4 catalyst processes a 4 e- pathway generate H2 O. However, controllably sites, ZnO3 C 2 O2 near zero overpotential in 0.1 M KOH. Calculations reveal that decreased electron density around lowers d-band center Zn, thus changing intermediate adsorption contributing ORR.

Язык: Английский

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