Design concept for electrocatalysts

Nano Research, Journal Year: 2021, Volume and Issue: 15(3), P. 1730 - 1752

Published: Sept. 4, 2021

Language: Английский

---

Understanding the structure-performance relationship of active sites at atomic scale

Nano Research, Journal Year: 2022, Volume and Issue: 15(8), P. 6888 - 6923

Published: June 14, 2022

Language: Английский

---

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

Advanced Powder Materials, Journal Year: 2021, Volume and Issue: 1(1), P. 100013 - 100013

Published: Nov. 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.

Language: Английский

---

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

Advanced Energy Materials, Journal Year: 2022, Volume and Issue: 12(9)

Published: Jan. 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

Language: Английский

---

Clusters Induced Electron Redistribution to Tune Oxygen Reduction Activity of Transition Metal Single‐Atom for Metal–Air Batteries

Angewandte Chemie International Edition, Journal Year: 2021, Volume and Issue: 61(12)

Published: Dec. 27, 2021

Oxygen reduction reaction (ORR) activity can be effectively tuned by modulating the electron configuration and optimizing chemical bonds. Herein, a general strategy to optimize of metal single-atoms is achieved decoration clusters via coating-pyrolysis-etching route. In this unique structure, are able induce redistribution modulate M-N species bond lengths. As result, M-ACSA@NC exhibits superior ORR compared with nanoparticle-decorated counterparts. The performance enhancement attributed optimized intermediates desorption benefiting from electronic configuration. Theoretical analysis reinforces significant roles correlating cluster-induced charge transfer. proof-of-concept, various metal-air batteries assembled Fe-ACSA@NC deliver remarkable power densities capacities. This an effective universal technique for modulation M-N-C, which shows great potential in application energy storage devices.

Language: Английский

---

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

Nano Research, Journal Year: 2022, Volume and Issue: 15(7), P. 5792 - 5815

Published: May 4, 2022

Language: Английский

---

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

Nano Research, Journal Year: 2022, Volume and Issue: 15(9), P. 7806 - 7839

Published: June 2, 2022

Language: Английский

---

Strong Metal–Support Interaction in Heterogeneous Catalysts

Advanced Energy Materials, Journal Year: 2022, Volume and Issue: 12(37)

Published: Aug. 7, 2022

Abstract Strong metal–support interaction (SMSI) in supported metal catalysts, typically accompanied by the formation of encapsulation layers over nanoparticles, has drawn intense research attention owing to a variety intriguing behaviors. In particular, recent years have witnessed enormous progress constructing SMSI between novel components as well understanding nature SMSI. Notably, also provides substantial possibilities for designing and modulating advanced heterogeneous catalysts toward wide range applications. Therefore, systematic critical overview is highly desirable highlight advances discuss its applications catalysts. this review, process described based on typical material systems, then surface energy minimization mechanism discussed fully taking account new systems construction strategies. Moreover, principles using control activity, selectivity, stability are demonstrated with an emphasis thermocatalysis electrocatalysis. To conclude, personal perspectives opportunities challenges provided.

Language: Английский

---

Phosphorus Induced Electron Localization of Single Iron Sites for Boosted CO₂ Electroreduction Reaction

Angewandte Chemie International Edition, Journal Year: 2021, Volume and Issue: 60(44), P. 23614 - 23618

Published: Aug. 31, 2021

Electrochemical reduction of carbon dioxide (CO2 ) into chemicals and fuels has recently attracted much interest, but normally suffers from a high overpotential low selectivity. In this work, single P atoms were introduced N-doped supported Fe atom catalyst (Fe-SAC/NPC) mainly in the form P-C bonds for CO2 electroreduction to CO an aqueous solution. This exhibited Faradaic efficiency ≈97 % at 320 mV, Tafel slope only 59 mV dec-1 , comparable state-of-the-art gold catalysts. Experimental analysis combined with DFT calculations suggested that coordination shells (n≥3), particular third shell center enhanced electronic localization Fe, which improved stabilization key *COOH intermediate on leading superior electrochemical performance overpotentials.

Language: Английский

---

Anion-exchange membrane water electrolyzers and fuel cells

Chemical Society Reviews, Journal Year: 2022, Volume and Issue: 51(23), P. 9620 - 9693

Published: Jan. 1, 2022

The key components, working management, and operating techniques of anion-exchange membrane water electrolyzers fuel cells are reviewed for the first time.

Language: Английский

---