The highly selective catalytic hydrogenation of halogenated nitroaromatics was achieved by employing Pd‑based catalysts that were co‑modified with organic and inorganic ligands.It was demonstrated that the catalysts c...The highly selective catalytic hydrogenation of halogenated nitroaromatics was achieved by employing Pd‑based catalysts that were co‑modified with organic and inorganic ligands.It was demonstrated that the catalysts contained Pd species in mixed valence states,with high valence Pd at the metal‑support interface and zero valence Pd at the metal surface.While the strong coordination of triphenylphosphine(PPh3)to Pd0 on the Pd surface prevents the adsorption of halogenated nitroaromatics and thus dehalogenation,the coordination of sodium metavanadate(NaVO3)to high‑valence Pd sites at the interface helps to activate H2 in a heterolytic pathway for the selective hydrogenation of nitro‑groups.The excellent catalytic performance of the interfacial active sites enables the selective hydrogenation of a wide range of halogenated nitroaromatics.展开更多
The performance of a material is directly affected by its microstructural development during the solidification phase. Discrete cellular automaton (CA) models are widelyused in materials science to simulate and predic...The performance of a material is directly affected by its microstructural development during the solidification phase. Discrete cellular automaton (CA) models are widelyused in materials science to simulate and predict microstructural growth. This review comprehensively explains the developments and applications of CA in solidification structure simulation, including the theoretical underpinnings, computational procedures, software development, and recent advances. Summarizes the potential and limitations of cellular automata in understanding microstructure evolution during solidification, explores the evolution of microstructures during solidification, and adds to our existing knowledge of cellular automaton theory. Finally, the research trend in simulating the evolution of the solidification microstructure using cellular automaton theory is explored.展开更多
文摘The highly selective catalytic hydrogenation of halogenated nitroaromatics was achieved by employing Pd‑based catalysts that were co‑modified with organic and inorganic ligands.It was demonstrated that the catalysts contained Pd species in mixed valence states,with high valence Pd at the metal‑support interface and zero valence Pd at the metal surface.While the strong coordination of triphenylphosphine(PPh3)to Pd0 on the Pd surface prevents the adsorption of halogenated nitroaromatics and thus dehalogenation,the coordination of sodium metavanadate(NaVO3)to high‑valence Pd sites at the interface helps to activate H2 in a heterolytic pathway for the selective hydrogenation of nitro‑groups.The excellent catalytic performance of the interfacial active sites enables the selective hydrogenation of a wide range of halogenated nitroaromatics.
文摘The performance of a material is directly affected by its microstructural development during the solidification phase. Discrete cellular automaton (CA) models are widelyused in materials science to simulate and predict microstructural growth. This review comprehensively explains the developments and applications of CA in solidification structure simulation, including the theoretical underpinnings, computational procedures, software development, and recent advances. Summarizes the potential and limitations of cellular automata in understanding microstructure evolution during solidification, explores the evolution of microstructures during solidification, and adds to our existing knowledge of cellular automaton theory. Finally, the research trend in simulating the evolution of the solidification microstructure using cellular automaton theory is explored.
