First-principles calculations insight into non-noble-metal bifunctional electrocatalysts for zinc–air batteries DOI

W.W. Zhang,

Yue Wang, Yongjun Li

et al.

Applied Energy, Journal Year: 2025, Volume and Issue: 391, P. 125925 - 125925

Published: April 13, 2025

Language: Английский

Adjacent Fe Site boosts electrocatalytic oxygen evolution at Co site in single-atom-catalyst through a dual-metal-site design DOI

Changli Chen,

Mingzi Sun, Fang Zhang

et al.

Energy & Environmental Science, Journal Year: 2023, Volume and Issue: 16(4), P. 1685 - 1696

Published: Jan. 1, 2023

In this work, we propose a unique reaction mechanism that the Fe site OOH serves as auxiliary to accelerate formation of Co active species, hence accelerating rate-determining step OER.

Language: Английский

Citations

142

A High‐Entropy Single‐Atom Catalyst Toward Oxygen Reduction Reaction in Acidic and Alkaline Conditions DOI
Mohsen Tamtaji, Min Gyu Kim, Jun Wang

et al.

Advanced Science, Journal Year: 2024, Volume and Issue: 11(26)

Published: April 30, 2024

Abstract The design of high‐entropy single‐atom catalysts (HESAC) with 5.2 times higher entropy compared to (SAC) is proposed, by using four different metals (FeCoNiRu‐HESAC) for oxygen reduction reaction (ORR). Fe active sites intermetallic distances 6.1 Å exhibit a low ORR overpotential 0.44 V, which originates from weakening the adsorption OH intermediates. Based on density functional theory (DFT) findings, FeCoNiRu‐HESAC nitrogen‐doped sample were synthesized. atomic structures are confirmed X‐ray photoelectron spectroscopy (XPS), absorption (XAS), and scanning transmission electron microscopy (STEM). predicted high catalytic activity experimentally verified, finding that has overpotentials 0.41 0.37 V Tafel slopes 101 210 mVdec −1 at current 1 mA cm −2 kinetic densities 8.2 5.3 , respectively, in acidic alkaline electrolytes. These results comparable Pt/C. used Zinc–air battery applications an open circuit potential 1.39 power 0.16 W . Therefore, strategy guided DFT provided rational HESAC can be replaced high‐cost Pt toward beyond.

Language: Английский

Citations

31

High-throughput screening of dual atom catalysts for oxygen reduction and evolution reactions and rechargeable zinc-air battery DOI
Mohsen Tamtaji, Min Gyu Kim, Zhimin Li

et al.

Nano Energy, Journal Year: 2024, Volume and Issue: 126, P. 109634 - 109634

Published: April 21, 2024

Language: Английский

Citations

28

Recent Design Strategies for M‐N‐C Single‐Atom Catalysts in Oxygen Reduction: An Entropy Increase Perspective DOI
Wei Yan, Wenmiao Chen, Yanli Chen

et al.

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: 34(36)

Published: March 18, 2024

Abstract Recently, a diverse array of novel metal‐nitrogen‐carbon (M‐N‐C) single‐atom catalysts (SACs) have rapidly evolve, particularly in the realm oxygen reduction reaction (ORR). Despite plethora proposed design and improvement strategies for SACs, comprehensive review systematically compiling components M‐N‐C from unified perspective is notably absent. For first time, thorough examination each component conducted, focusing on entropy increase active sites SACs. single M‐N 4 whole system, an implies elevated degree disorder chaos. Broadly, entropy‐increasing modification M (single mental sites) guest groups entails augmentation chaos, with most effective co‐catalytic synergy achieved by establishing multiple through “cocktail effect”. Concerning N (nitrogen other heteroatoms) C (carbon supports), induces heightened disorder, symmetry breaking more likely to drive toward adsorbing molecules attain equilibrium symmetric structure. All these innovative led remarkable ORR activity stability offer guiding criterion future preparation

Language: Английский

Citations

27

Spin effect in dual-atom catalysts for electrocatalysis DOI Creative Commons

Xiaoqin Xu,

Jingqi Guan

Chemical Science, Journal Year: 2024, Volume and Issue: 15(36), P. 14585 - 14607

Published: Jan. 1, 2024

The development of high-efficiency atomic-level catalysts for energy-conversion and -storage technologies is crucial to address energy shortages. spin states diatomic (DACs) are closely tied their catalytic activity. Adjusting the DACs' active centers can directly modify occupancy d-orbitals, thereby influencing bonding strength between metal sites intermediates as well transfer during electro reactions. Herein, we discuss various techniques characterizing atomic strategies modulating center states. Next, outline recent progress in study effects DACs oxygen reduction reaction (ORR), evolution (OER), hydrogen (HER), electrocatalytic nitrogen/nitrate (eNRR/NO

Language: Английский

Citations

27

Current Status and Perspectives of Dual-Atom Catalysts Towards Sustainable Energy Utilization DOI Creative Commons
Yizhe Li, Yajie Li, Hao Sun

et al.

Nano-Micro Letters, Journal Year: 2024, Volume and Issue: 16(1)

Published: Feb. 29, 2024

Abstract The exploration of sustainable energy utilization requires the implementation advanced electrochemical devices for efficient conversion and storage, which are enabled by usage cost-effective, high-performance electrocatalysts. Currently, heterogeneous atomically dispersed catalysts considered as potential candidates a wide range applications. Compared to conventional catalysts, metal atoms in carbon-based have more unsaturated coordination sites, quantum size effect, strong metal–support interactions, resulting exceptional catalytic activity. Of these, dual-atomic (DACs) attracted extensive attention due additional synergistic effect between two adjacent atoms. DACs advantages full active site exposure, high selectivity, theoretical 100% atom utilization, ability break scaling relationship adsorption free on sites. In this review, we summarize recent research advancement DACs, includes (1) comprehensive understanding synergy atomic pairs; (2) synthesis DACs; (3) characterization methods, especially aberration-corrected scanning transmission electron microscopy synchrotron spectroscopy; (4) energy-related last part focuses great catalysis small molecules, such oxygen reduction reaction, CO 2 hydrogen evolution N reaction. future challenges opportunities also raised prospective section.

Language: Английский

Citations

25

Advancing electrocatalytic reactions through mapping key intermediates to active sites via descriptors DOI
Xiaowen Sun, Rafael B. Araujo, Egon Campos dos Santos

et al.

Chemical Society Reviews, Journal Year: 2024, Volume and Issue: 53(14), P. 7392 - 7425

Published: Jan. 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.

Language: Английский

Citations

18

Environmentally friendly synthesis and morphology engineering of mixed-metal MOF for outstanding CO2 capture efficiency DOI
Amir Kazemi, Mahyar Ashourzadeh Pordsari, Mohsen Tamtaji

et al.

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 158951 - 158951

Published: Jan. 1, 2025

Language: Английский

Citations

2

Dual‐Atom Catalysts Derived from a Preorganized Covalent Organic Framework for Enhanced Electrochemical Oxygen Reduction DOI Open Access
Wenda Zhang,

Lang Zhou,

Ya‐Xiang Shi

et al.

Angewandte Chemie International Edition, Journal Year: 2023, Volume and Issue: 62(27)

Published: May 4, 2023

Dual-atom catalysts (DAC) are deemed as promising electrocatalysts due to the abundant active sites and adjustable electronic structure, but fabrication of well-defined DAC is still full challenges. Herein, bonded Fe dual-atom (Fe2 DAC) with Fe2 N6 C8 O2 configuration were developed through one-step carbonization a preorganized covalent organic framework bimetallic chelation COF). The transition from COF involved dissociation nanoparticles capture atoms by carbon defects. Benefitting optimized d-band center enhanced adsorption OOH* intermediates, exhibited outstanding oxygen reduction activity half-wave potential 0.898 V vs. RHE. This work will guide more even cluster in future.

Language: Английский

Citations

38

Diatomic Fe-Co catalysts synergistically catalyze oxygen evolution reaction DOI

Tianmi Tang,

Jingyi Han,

Zhenlü Wang

et al.

Nano Research, Journal Year: 2023, Volume and Issue: 17(5), P. 3794 - 3800

Published: Dec. 2, 2023

Language: Английский

Citations

36