Rare Metals, Journal Year: 2024, Volume and Issue: unknown
Published: Nov. 18, 2024
Language: Английский
Rare Metals, Journal Year: 2024, Volume and Issue: unknown
Published: Nov. 18, 2024
Language: Английский
International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
Language: Английский
Citations
2AIChE Journal, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 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.
Language: Английский
Citations
1Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 525, P. 216343 - 216343
Published: Nov. 21, 2024
Language: Английский
Citations
6Chemical Communications, Journal Year: 2024, Volume and Issue: 60(87), P. 12615 - 12632
Published: Jan. 1, 2024
Synthetic strategies and electrocatalytic applications of high-entropy alloys.
Language: Английский
Citations
4Journal of Power Sources, Journal Year: 2025, Volume and Issue: 631, P. 236273 - 236273
Published: Jan. 22, 2025
Language: Английский
Citations
0Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown
Published: Feb. 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.
Language: Английский
Citations
0Materials Today Communications, Journal Year: 2025, Volume and Issue: unknown, P. 112289 - 112289
Published: March 1, 2025
Language: Английский
Citations
0Journal of Computational Chemistry, Journal Year: 2025, Volume and Issue: 46(8)
Published: March 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.
Language: Английский
Citations
0Journal of Alloys and Compounds, Journal Year: 2025, Volume and Issue: unknown, P. 180153 - 180153
Published: March 1, 2025
Language: Английский
Citations
0Ceramics International, Journal Year: 2025, Volume and Issue: unknown
Published: April 1, 2025
Language: Английский
Citations
0