Rare Metals, Год журнала: 2024, Номер unknown
Опубликована: Ноя. 18, 2024
Язык: Английский
Rare Metals, Год журнала: 2024, Номер unknown
Опубликована: Ноя. 18, 2024
Язык: Английский
International Journal of Hydrogen Energy, Год журнала: 2025, Номер unknown
Опубликована: Янв. 1, 2025
Язык: Английский
Процитировано
2AIChE Journal, Год журнала: 2025, Номер unknown
Опубликована: Янв. 27, 2025
Abstract High‐entropy oxide aerogels (HEOs), combining the advantages of polymetallic oxides and aerogels, are novel materials with great prospect for catalytic applications. However, preparation single‐phase HEOs remains a challenge. Herein, we report general strategy ultralight 3D porous by gelation high‐temperature calcination process. The resulting CuFeCoAgPdO x has structural morphological HEO an aerogel exhibits excellent selectivity (100%), full conversion (>99% yield) in selective hydrogenation 4‐nitrostyrene. In situ Fourier transform infrared spectroscopy (FT‐IR) gas chromatography confirm that synergistic effect can preferentially reduce NO 2 group rather than CC bonds mechanism were revealed. This study provides new idea design efficient nitroaromatic catalysts.
Язык: Английский
Процитировано
1Coordination Chemistry Reviews, Год журнала: 2024, Номер 525, С. 216343 - 216343
Опубликована: Ноя. 21, 2024
Язык: Английский
Процитировано
6Chemical Communications, Год журнала: 2024, Номер 60(87), С. 12615 - 12632
Опубликована: Янв. 1, 2024
Synthetic strategies and electrocatalytic applications of high-entropy alloys.
Язык: Английский
Процитировано
4Journal of Power Sources, Год журнала: 2025, Номер 631, С. 236273 - 236273
Опубликована: Янв. 22, 2025
Язык: Английский
Процитировано
0Journal of the American Chemical Society, Год журнала: 2025, Номер unknown
Опубликована: Фев. 7, 2025
Two-dimensional materials, such as transition metal dichalcogenides (TMDCs) in the 2H or 1T crystal phases, are promising (electro)catalyst candidates due to their high surface-to-volume ratio and composition of low-cost, abundant elements. While edges elemental TMDC nanoparticles, MoS2, can show significant catalytic activity, basal plane pristine materials is notoriously inert, which limits normalized activity. Here, we that densities catalytically active sites be formed on by alloying elements prefer (1T) phase into a (2H) structure. The global stability alloy, particular, whether it crystallizes phase, controlled ensuring majority target phase. We further mixing entropy plays decisive role stabilizing implying high-entropy becomes essential. Our calculations point number interesting nonprecious hydrogen evolution catalysts, including (CrTaVHfZr)S2 (CrNbVTiZr)S2 1T-phase (MoNbTaVTi)S2 2H-phase. work opens new directions for designing via alloy stabilization locally unstable structures.
Язык: Английский
Процитировано
0Materials Today Communications, Год журнала: 2025, Номер unknown, С. 112289 - 112289
Опубликована: Март 1, 2025
Язык: Английский
Процитировано
0Journal of Computational Chemistry, Год журнала: 2025, Номер 46(8)
Опубликована: Март 21, 2025
ABSTRACT The band center of d orbitals ( ‐band center) has been widely used as an effective descriptor for analyzing material properties. However, in high‐entropy nanoalloys, the diverse atomic environments present challenges systematically exploring all possible combinations. Due to computational resource limitations, generating a sufficient number samples is infeasible. Consequently, should be treated response variable machine‐learning models. We calculated individual atoms and applied supervised learning techniques identify key factors influencing its behavior. While several were identified, their physical significance predicting centers remained unclear. To address this issue, we incorporated various interatomic distance terms descriptors, along with element‐based coordination numbers (ECN). resulting model closely resembled overlap integral Slater‐type orbital, regression coefficients ECN exhibited sensitivity principal quantum nuclear charge. Understanding these descriptors crucial improving property predictions facilitating data collection on novel materials.
Язык: Английский
Процитировано
0Journal of Alloys and Compounds, Год журнала: 2025, Номер unknown, С. 180153 - 180153
Опубликована: Март 1, 2025
Язык: Английский
Процитировано
0Ceramics International, Год журнала: 2025, Номер unknown
Опубликована: Апрель 1, 2025
Язык: Английский
Процитировано
0