Physical review. B./Physical review. B, Год журнала: 2025, Номер 111(19)
Опубликована: Май 9, 2025
Язык: Английский
Water Research, Год журнала: 2025, Номер 275, С. 123173 - 123173
Опубликована: Янв. 21, 2025
Язык: Английский
Процитировано
2
ACS Catalysis, Год журнала: 2025, Номер unknown, С. 2434 - 2458
Опубликована: Янв. 27, 2025
Subnanometric supported metal atomic clusters (SMACs) composed of several to tens surface atoms have attracted increased research interest in electrocatalysis. SMACs been known show distinct properties compared their nanoparticles and single atom counterparts long developed for functional improvements. Tremendous advancements made the past few years, with a notable trend more precise design down an atomic/molecular level investigation transferring into practical devices, which motivates this timely review. To begin, review presents classifies classic latest synthetic strategies state-of-the-art characterization techniques SMACs. It then outlines discusses basic structure principles SMACs, highlighting importance organic ligands, size effect clusters, support-cluster interactions determining catalytic activity device stability. Thereafter, recent advances typical electrocatalysis processes from laboratory scale industrial are discussed obtain general understanding structure–activity correlations Current challenges future perspectives emerging field also discussed, aiming at practicing SMAC catalysts energy conversion devices.
Язык: Английский
Процитировано
2
EnergyChem, Год журнала: 2025, Номер unknown, С. 100146 - 100146
Опубликована: Фев. 1, 2025
Язык: Английский
Процитировано
1
Advanced Materials, Год журнала: 2025, Номер unknown
Опубликована: Фев. 25, 2025
The precise spatiotemporal control of reactive oxygen species (ROS) generation and scavenging remains pivotal for infected wound healing. However, conventional nanozymes fail to adaptively regulate ROS dynamics across inflammatory proliferative phases. A near-infrared (NIR)-activated inverse oxide/alloy-structured nanozyme (Co7Fe3/ZnO@C) is developed, featuring enzymatic cascade activities tune homeostasis through synergistic chemodynamic (CDT), photodynamic (PDT), photothermal (PTT) therapies. orchestrates a self-regulated cascade: peroxidase (POD)-like activity initially generates bactericidal hydroxyl radicals in acidic wounds, while subsequent NIR triggers hot electron transfer from Co7Fe3 ZnO, facilitating synchronized superoxide dismutase (SOD)-like, catalase (CAT)-like radical antioxidant capacity (HORAC) scavenge residual ROS. This cascaded network dynamically balances production (POD) (NIR-driven SOD/CAT/HORAC), eradicating bacteria resolving inflammation. In vitro/vivo studies have shown that the proposed method maintaining can markedly enhance rate healing by regulation environment within injured tissue facilitation rapid re-epithelialization. work provides an intelligent platform simulates function natural enzymes constructs reaction strategy balance antibacterial anti-inflammatory demands microenvironment.
Язык: Английский
Процитировано
1
Journal of Materials Informatics, Год журнала: 2025, Номер 5(2)
Опубликована: Март 24, 2025
Over the past decades, machine learning has kept playing an important role in materials design and discovery. In practical applications, usually need to fulfill requirements of multiple target properties. Therefore, multi-objective optimization based on become one most promising directions. This review aims provide a detailed discussion learning-assisted discovery combined with recent research progress. First, we briefly introduce workflow learning. Then, Pareto fronts corresponding algorithms are summarized. Next, strategies demonstrated, including front-based strategy, scalarization function, constraint method. Subsequently, progress is summarized different discussed. Finally, propose future directions for learning-based materials.
Язык: Английский
Процитировано
1
Nature Computational Science, Год журнала: 2025, Номер unknown
Опубликована: Апрель 23, 2025
Язык: Английский
Процитировано
1
Chem Catalysis, Год журнала: 2025, Номер 5(1), С. 101231 - 101231
Опубликована: Янв. 1, 2025
Язык: Английский
Процитировано
0
The Journal of Physical Chemistry Letters, Год журнала: 2025, Номер unknown, С. 924 - 931
Опубликована: Янв. 20, 2025
Understanding the mechanism of nitrogen reduction reaction (NRR) is essential for designing highly efficient catalysts. In this study, we investigated effects metal–support interaction (MSI) on NRR using density functional theory. The simulations revealed that MSI weak in Au13/BiOCl system, with charge accumulation and depletion primarily occurring within Au13 cluster. By replacement one Au atom either a Ag or Pt atom, becomes stronger compared to system. because doping breaks symmetry cluster, leading at interface. Specifically, enhanced reduces energy barriers rate-determining step from 1.07 eV system 0.91 Au12Ag/BiOCl 0.87 Au12Pt/BiOCl, respectively. Our study uncovers critical role activity NRR, providing theoretical insights development
Язык: Английский
Процитировано
0
ACS Applied Materials & Interfaces, Год журнала: 2025, Номер unknown
Опубликована: Фев. 13, 2025
Metal–support interactions (MSI) play a crucial role in enhancing the catalytic activity and stability of metal catalysts by establishing stable metal-oxide interface. However, precisely controlling MSI at atomic scale remains significant challenge, as how to construct an optimal is still not fully understood: Both insufficient excessive showed inferior performance. In this study, we propose finely tuning using temporal-precise transient high-temperature pulse heating. Using Pt/CeO2 model system, systematically investigate variations duration atmosphere influence reconstruction metal–support interface MSIs. This leads formation two distinct types MSI: (1) strong (SMSI, Pt@CeO2) (2) reactive (RMSI, Pt5Ce@CeO2), each with unique compositions, structures, electrochemical behaviors. Notably, Pt5Ce@CeO2 RMSI exhibits remarkable performance alkaline hydrogen evolution, showing overpotential −29 mV operation for over 300 h −10 mA·cm–2. Theoretical studies reveal that alloying Pt Ce form Pt5Ce modifies electronic structure Pt, shifting d-band center optimize adsorption dissociation intermediates, thereby reducing reaction energy barrier. Moreover, intimate interaction CeO2 further improves stability. Our strategy enables precise, stepwise, controllable regulation MSIs, providing insights development highly efficient durable heterostructured wide range applications.
Язык: Английский
Процитировано
0
The Journal of Physical Chemistry Letters, Год журнала: 2025, Номер 16(9), С. 2357 - 2368
Опубликована: Фев. 26, 2025
Accurately controlling the interactions and dynamic changes between multiple active sites (e.g., metals, vacancies, lone pairs of heteroatoms) to achieve efficient catalytic performance is a key issue challenge in design complex reactions involving 2D metal-supported catalysts, metal-zeolites, metal–organic metalloenzymes. With aid machine learning (ML), descriptors play central role optimizing electrochemical elucidating essence activity, predicting more thereby avoiding time-consuming trial-and-error processes. Three kinds descriptors─active center descriptors, interfacial reaction pathway descriptors─are crucial for understanding designing catalysts. Specifically, as sites, synergize with metals significantly promote reduction energy-relevant small molecules. By combining some physical interpretable can be constructed evaluate performance. Future development ML models faces constructing vacancies multicatalysis systems rationally selectivity, stability Utilization generative artificial intelligence multimodal automatically extract would accelerate exploration mechanisms. The transferable from catalysts metalloenzymes provide innovative solutions energy conversion environmental protection.
Язык: Английский
Процитировано
0