Nanoscale, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
By training the overpotential dataset of Ag–Pd–Ir nanocatalysts using machine learning models, untrained formate oxidation reaction catalyst is predicted K-nearest neighbors model, screening best candidate catalysts.
Language: Английский
Advanced Energy Materials, Journal Year: 2024, Volume and Issue: 14(30)
Published: May 22, 2024
Abstract Ferrous sulfides with the high theoretic capacity are promising anode for sodium ion batteries. However, fading and inferior rate capability still hinder their practical application. In this work, Na‐doped Fe 7 S 8 microrods cationic vacancies weakened Fe─S bond constructed through a facile scalable sulfurized route. The experimental results combined theoretical analysis thoroughly reveal generation of strength induced by doping, which modulates energy band structure , provides more active sites, accelerates sodiation/desodiation reaction kinetics, simultaneously. Moreover, pre‐doping delivers strong guiding effect on formation thin stable solid electrolyte interface films. As result, optimal sample exhibits excellent storage performance, including reversible (674 mAh g −1 after 200 cycles at 0.5 A 503 1500 10 ), superior capability, increased initial coulombic efficiency. Furthermore, full cell paired commercial Na 3 V 2 (PO 4 ) also displays outstanding cyclic stability 95.9% retention 100 cycles.
Language: Английский
Citations
63
Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 484, P. 149607 - 149607
Published: Feb. 12, 2024
Language: Английский
Citations
62
Advanced Energy Materials, Journal Year: 2024, Volume and Issue: 14(20)
Published: Feb. 14, 2024
Abstract Machine learning (ML) exhibits substantial potential for predicting the properties of solid‐state electrolytes (SSEs). By integrating experimental or/and simulation data within ML frameworks, discovery and development advanced SSEs can be accelerated, ultimately facilitating their application in high‐end energy storage systems. This review commences with an introduction to background SSEs, including explicit definition, comprehensive classification, intrinsic physical/chemical properties, underlying mechanisms governing conductivity, challenges, future developments. An in‐depth explanation methodology is also elucidated. Subsequently, key factors that influence performance are summarized, thermal expansion, modulus, diffusivity, ionic reaction energy, migration barrier, band gap, activation energy. Finally, it offered perspectives on design prerequisites upcoming generations focusing real‐time property prediction, multi‐property optimization, multiscale modeling, transfer learning, automation high‐throughput experimentation, synergistic optimization full battery, all which crucial accelerating progress SSEs. aims guide novel SSE materials practical realization efficient reliable technologies.
Language: Английский
Citations
54
Advanced Energy Materials, Journal Year: 2024, Volume and Issue: 14(30)
Published: May 27, 2024
Abstract Electrochemical water splitting is a promising technique for the production of high‐purity hydrogen. Substituting slow anodic oxygen evolution reaction with an oxidation that thermodynamically more favorable enables energy‐efficient Moreover, this approach facilitates degradation environmental pollutants and synthesis value‐added chemicals through rational selection small molecules as substrates. Strategies small‐molecule electrocatalyst design are critical to electrocatalytic performance, focus on achieving high current density, selectivity, Faradaic efficiency, operational durability. This perspective discusses key factors required further advancement, including technoeconomic analysis, new reactor system design, meeting requirements industrial applications, bridging gap between fundamental research practical product detection separation. aims advance development hybrid electrolysis applications.
Language: Английский
Citations
43
Advanced Functional Materials, Journal Year: 2024, Volume and Issue: 34(21)
Published: Jan. 6, 2024
Abstract Transition metal sulfides (TMSs) still confront the challenges of capacity fading and inferior fast‐charging capability for sodium storage. The rational design heterostructures enables a new approach to conquer these drawbacks. In this work, hierarchical structure consisting SnS 2 nanosheets FeS microrods with triphasic is proposed by facile secondary growth sulfidation process. introduction tin sources regulates proportion pyrite marcasite phases, thereby achieving comprising pyrite, 2, . When served as anode material sodium‐ion batteries, optimized sample exhibits high reversible (901 mAh g −1 ) durable cycling performances (827 after 200 cycles at 1 A 742 700 5 ). Paring commercial Na 3 V (PO cathodes, full‐cell also delivers extraordinary cyclic stability 618 (based on weight material) (98.7% retention). adjustably heterogeneous interfaces alleviates volumetric expansion interfacial passivation active material, while modulating energy band inducing build‐in electric fields boost + /electrons transport rate.
Language: Английский
Citations
24
Journal of Colloid and Interface Science, Journal Year: 2025, Volume and Issue: 684, P. 658 - 667
Published: Jan. 10, 2025
Language: Английский
Citations
22
ACS Nano, Journal Year: 2024, Volume and Issue: unknown
Published: July 1, 2024
Global warming is a crisis that humanity must face together. With greenhouse gases (GHGs) as the main factor causing global warming, adoption of relevant processes to eliminate them essential. advantages high specific surface area, large pore volume, and tunable synthesis, metal–organic frameworks (MOFs) have attracted much attention in GHG storage, adsorption, separation, catalysis. However, pool MOFs expands rapidly with new syntheses discoveries, finding suitable MOF for particular application highly challenging. In this regard, high-throughput computational screening considered most effective research method number materials discover high-performance target MOFs. Typically, generates voluminous multidimensional data, which well suited machine learning (ML) training improve efficiency explore relationships between data depth. This Review summarizes general process common methods using ML screen field removal. It also addresses challenges faced by exploring space potential directions future development screening. aims enhance understanding integration various fields broaden ideas
Language: Английский
Citations
19
International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 106, P. 1066 - 1075
Published: Feb. 8, 2025
Language: Английский
Citations
2
Journal of Colloid and Interface Science, Journal Year: 2024, Volume and Issue: 662, P. 183 - 191
Published: Feb. 9, 2024
Language: Английский
Citations
17
Small Methods, Journal Year: 2024, Volume and Issue: unknown
Published: May 15, 2024
Abstract Water electrolysis, a key enabler of hydrogen energy production, presents significant potential as strategy for achieving net‐zero emissions. However, the widespread deployment water electrolysis is currently limited by high‐cost and scarce noble metal electrocatalysts in evolution reaction (HER). Given this challenge, design synthesis cost‐effective high‐performance alternative catalysts have become research focus, which necessitates insightful understandings HER fundamentals material engineering strategies. Distinct from typical reviews that concentrate only on summary recent catalyst materials, review article shifts focus to strategies developing efficient catalysts. In‐depth analysis approaches catalysts, such doping, vacancy defect creation, phase engineering, metal‐support are illustrated along with cases. A special emphasis placed designing metal‐free brief discussion advancements electrocatalytic water‐splitting technology. The also delves into important descriptors, reliable evaluation parameters characterization techniques, aiming link fundamental mechanisms its catalytic performance. In conclusion, it explores future trends integrating theoretical, experimental industrial perspectives, while acknowledging challenges remain.
Language: Английский
Citations
16