Engineering Local Coordination and Electronic Structures of Dual-Atom Catalysts DOI
Xinzhe Li, Xuan Liu, Muzammil Hussain

et al.

ACS Nano, Journal Year: 2025, Volume and Issue: unknown

Published: May 1, 2025

Heterogeneous dual-atom catalysts (DACs), defined by atomically precise and isolated metal pairs on solid supports, have garnered significant interest in advancing catalytic processes technologies aimed at achieving sustainable energy chemical production. DACs present board opportunities for atomic-level structural property engineering to enhance performance, which can effectively address the limitations of single-atom catalysts, including restricted active sites, spatial constraints, typically positive charge nature supported single species. Despite rapid progress this field, intricate relationship between local atomic environments behavior dual-metal sites remains insufficiently understood. This review highlights recent major challenges field. We begin discussing modulation coordination electronic structures its impact performance. Through specific case studies, we demonstrate importance optimizing entire ensemble achieve efficient, selective, stable performance both model industrially relevant reactions. Additionally, also outline future research directions, emphasizing synthesis, characterization, practical applications, aiming fully unlock potential these advanced catalysts.

Language: Английский

Insight into the structural reconstruction of alkaline water oxidation electrocatalysts DOI
Kaixi Wang, Yifei Xu,

Vahid Daneshvari-Esfahlan

et al.

Nanoscale, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

This review explores precatalysts’ structural reconstruction during alkaline OER, summarizes methods probing evolution and influencing factors, guides dynamic regulation, discusses impacts on performance.

Language: Английский

Citations

0

Manipulating Interfacial Water Via Metallic Pt1Co6 Sites on Self‐Adaptive Metal Phosphides to Enhance Water Electrolysis DOI Open Access
Kang Jiang, Zhixiao Liu, Zhen Wang

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: March 18, 2025

Abstract Metallizing active sites to control the structural and kinetic dissociation of water at catalyst–electrolyte interface, along with elucidating its mechanism under operating conditions, is a pivotal innovation for hydrogen evolution reaction (HER). Here, design singly dispersed Pt–Co in fully metallic state on nanoporous Co 2 P, tailored HER, introduced. An anion‐exchange‐membrane electrolyzer equipped this catalyst can achieve industrial current densities 1.0 2.0 A cm −2 1.71 1.85 V, respectively. It revealed that undergo self‐adaptive distortion which form Pt 1 6 configuration strongly negative charge optimizes reactant binding reorganizes interfacial structure, resulting an improved concentration potassium (K + ) ions closest ion plane. The K interact cooperatively H O (K·H O), strengthens Pt–H interaction facilitates polarization H─OH bond, leading HER activity. This study not only propels advancement cathodic catalysts electrolysis but also delineates metallization strategy interface principle, thereby enhancing electrocatalytic rates.

Language: Английский

Citations

0

Laser‐Induced Co‐Doped FePS3 with Massively Phosphorus Sulfur Vacancies Nanosheet for Efficient and Highly Stable Electrocatalytic Oxygen Reaction DOI Creative Commons
Rui Xu,

Guoshuai Fu,

Wenjiang Ding

et al.

Advanced Science, Journal Year: 2025, Volume and Issue: unknown

Published: April 4, 2025

Abstract Purposely optimizing material structure to reduce the energy change of rate‐determining step (RDS) for promoting oxygen evolution reaction (OER) catalytic performance is a major strategy enhance efficiency electrocatalytic water splitting. Density functional theory (DFT) simulations indicate that creating large number defects on or inside 2D FePS 3 very beneficial its OER, especially when there are more defects, structural diversity surface conducive adsorption and intermediates. In particular, Co‐doped surfaces produce S P expose metallic Fe as active sites, performance, stability, significantly enhanced. A facile efficient laser‐ablation‐in‐liquid method then designed combine Co with layered crystal . Amazingly, laser‐induced (Fe 0.53 0.46 )PS sample exhibits excellent OER an overpotential at 288 mV small Tafel slope 58.3 dec −1 Moreover, operates stably 138 h 10 mA cm −2 27 100 , which shows stability far exceeds most catalysts Fe─Co system so far, comprehensive in first echelon transition metal catalyst systems. This work proposes in‐depth understanding mechanism design massive phosphorus sulfur vacancies by manufacturing will shed new light metal‐based without any precious alternatives.

Language: Английский

Citations

0

Optimizing Electron Delocalization in Cobalt Clusters via d‐d Orbital Coupling for Efficient Bifunctional Oxygen Electrocatalysis DOI
Xin Yu Wang,

Sichen Huo,

Yanjie Chen

et al.

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 14, 2025

Abstract Cobalt atom cluster (Co AC )‐based electrocatalysts usually exhibit high activity for oxygen reduction reaction (ORR), but display limited performance in evolution (OER). To enhance their bifunctional catalytic efficiency, it is crucial to tailor the d ‐orbital electronic structure of Co through orbital coupling effect, optimizing chemisorption O‐intermediates. Herein, a 3 ‐4 strategy used construct ‐molybdenum carbide/nanocarbon cake ‐Mo x C/CC) catalyst with hollow ORR/OER zinc‐air batteries (ZABs). Experimental and theoretical results confirm that 4 transition metal Mo, fewer electrons more unfilled orbitals, interacts strongly sites ‐ coupling, promoting electron enrichment triggering delocalization. This process accelerates rate‐limiting steps *OH desorption ORR *OOH formation OER, leading an ultra‐low potential gap 0.604 V improved stability. Notably, C/CC‐based liquid flexible all‐solid‐state ZABs excellent open‐circuit voltages 1.49 1.47 V, power densities 146.4 103.4 mW cm −2 , respectively, highlighting replace precious catalysts. study may open new avenues manipulating properties ‐based boosting strategy.

Language: Английский

Citations

0

Scale up of fully eco-friendly zinc–O2(ads) batteries from the lab scale to the prototype level DOI Creative Commons

Marcell Árpád Kordován,

Tibor Nagy,

Gergő Róth

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(15), P. 11759 - 11769

Published: Jan. 1, 2025

Due to their benefits of high specific energy, safety, environmental friendliness and low cost, zinc–air batteries (ZABs) are considered as promising candidates for the next generation energy storage devices.

Language: Английский

Citations

0

Engineering p–d Orbital Coupling and Vacancy-Rich Structure in Triatomic Iron–Bismuth–Iron Sites for Rechargeable Zinc–Air Batteries DOI

Zhanhao Liang,

Wencai Liu,

Shaojie Jing

et al.

ACS Nano, Journal Year: 2025, Volume and Issue: unknown

Published: April 29, 2025

The rational design of heteroatomic sites with synergistic electronic modulation remains a critical challenge for achieving bifunctional oxygen electrocatalysis in sustainable energy technologies such as fuel cells and metal-air batteries. Herein, triatomic Fe2BiN5 configuration embedded nitrogen-doped carbon (Fe2BiN5/C) atomically dispersed FeN2-BiN-FeN2 vacancy-rich structures is synthesized via pyrolysis etching strategy. architecture endows Fe2BiN5/C exceptional activity, delivering high reduction reaction half-wave potential 0.918 V an evolution overpotential 245 mV at 10 mA cm-2, surpassing Pt/C RuO2. In situ X-ray absorption fine structure Raman spectroscopy reveal dynamic structural during electrocatalysis, where Fe acts the primary active center Bi regulating electron distribution long-range interactions, thereby optimizing adsorption/desorption energetics intermediates. theoretical calculations further elucidate that Bi-induced p-d orbital coupling leads to alteration d-orbitals level, downshift d-band center, weaken binding strength oxygen-based intermediates, reduced barrier electrocatalysis. This work provides understanding site p-block metal modulators transition-metal atoms toward enhanced catalysis.

Language: Английский

Citations

0

Engineering Local Coordination and Electronic Structures of Dual-Atom Catalysts DOI
Xinzhe Li, Xuan Liu, Muzammil Hussain

et al.

ACS Nano, Journal Year: 2025, Volume and Issue: unknown

Published: May 1, 2025

Heterogeneous dual-atom catalysts (DACs), defined by atomically precise and isolated metal pairs on solid supports, have garnered significant interest in advancing catalytic processes technologies aimed at achieving sustainable energy chemical production. DACs present board opportunities for atomic-level structural property engineering to enhance performance, which can effectively address the limitations of single-atom catalysts, including restricted active sites, spatial constraints, typically positive charge nature supported single species. Despite rapid progress this field, intricate relationship between local atomic environments behavior dual-metal sites remains insufficiently understood. This review highlights recent major challenges field. We begin discussing modulation coordination electronic structures its impact performance. Through specific case studies, we demonstrate importance optimizing entire ensemble achieve efficient, selective, stable performance both model industrially relevant reactions. Additionally, also outline future research directions, emphasizing synthesis, characterization, practical applications, aiming fully unlock potential these advanced catalysts.

Language: Английский

Citations

0