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1,739 results on '"Astruc, Didier"'

18. Cu(I)‐Glutathione Assembly Supported on ZIF‐8 as Robust and Efficient Catalyst for Mild CO2 Conversions.

Author

Wang, Wenjuan, Wang, Tiansheng, Chen, Shuang, Lv, Ying, Salmon, Lionel, Espuche, Bruno, Moya, Sergio, Morozova, Oksana, Yun, Yapei, Di Silvio, Desiré, Daro, Nathalie, Berlande, Murielle, Hapiot, Philippe, Pozzo, Jean‐Luc, Yu, Haizhu, Hamon, Jean‐René, and Astruc, Didier

Subjects
COPPER, COPPER catalysts, OXIDATION-reduction reaction, CATALYSTS, LIGANDS (Chemistry), BIOCHEMICAL substrates
Abstract

The Cu‐glutathione (GSH) redox system, essential in biology, is designed here as a supramacromolecular assembly in which the tetrahedral 18e Cu(I) center loses a thiol ligand upon adsorption onto ZIF‐8, as shown by EXAFS and DFT calculation, to generate a very robust 16e planar trigonal single‐atom Cu(I) catalyst. Synergy between Cu(I) and ZIF‐8, revealed by catalytic experiments and DFT calculation, affords CO2 conversion into high‐value‐added chemicals with a wide scope of substrates by reaction with terminal alkynes or propargyl amines in excellent yields under mild conditions and reuse at least 10 times without significant decrease in catalytic efficiency. [ABSTRACT FROM AUTHOR]

Published
2024
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19. Integrating theory with the nanoreactor concept to synthesize hollow carbon sphere‐encapsulated PtNi alloys for enhanced H2 generation.

Author

Wu, Yufeng, Song, Minwei, Zhao, Ziyi, Wang, Guang‐Hui, Wang, Changlong, and Astruc, Didier

Subjects
GREEN fuels, KINETIC isotope effects, MOLECULAR dynamics, DENSITY functional theory, MOLECULAR theory, OXIDATIVE addition
Abstract

The rational design of efficient bimetallic nanoparticle (NP) catalysts is challenging due to the lack of theoretical understanding of active components and insights into the mechanisms of a specific reaction. Here, we report the rational design of nanoreactors comprising hollow carbon sphere‐confined PtNi bimetallic NPs (PtNi@HCS) as highly efficient catalysts for hydrogen generation via ammonia borane hydrolysis in water. Using both density functional theory calculations and molecular dynamics simulations, the effects of an active PtNi combination and the critical synergistic role of a hollow carbon shell on the molecule diffusion adsorption behaviors are explored. Kinetic isotope effects and theoretical calculations allow the clarification of the mechanism, with oxidative addition of an O–H bond of water to the catalyst surface being the rate‐determining step. The remarkable catalytic activity of the PtNi@HCS nanoreactor was also utilized for successful tandem catalytic hydrogenation reactions, using in situ‐generated H2 from ammonia borane with high efficiency. The concerted design, theoretical calculations, and experimental work presented here shed light on the rational elaboration of efficient nanocatalysts and contribute to the establishment of a circular carbon economy using green hydrogen. [ABSTRACT FROM AUTHOR]

Published
2024
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24. Design of bifunctional single-atom catalysts NiSA/ZIF-300 for CO2 conversion by ligand regulation strategy.

Author

Fu, Wengang, Yun, Yapei, Sheng, Hongting, Liu, Xiaokang, Ding, Tao, Hu, Shuxian, Yao, Tao, Ge, Binghui, Du, Yuanxin, Astruc, Didier, and Zhu, Manzhou

Subjects
SUSTAINABLE chemistry, CATALYSTS, TURNOVER frequency (Catalysis), METAL-organic frameworks, RING formation (Chemistry), ATOMS
Abstract

Carbon-supported noble-metal-free single-atom catalysts (SACs) have aroused widespread interest due to their green chemistry aspects and excellent performances. Herein, we propose a "ligand regulation strategy" and achieve the successful fabrication of bifunctional SAC/MOF (MOF = metal–organic framework) nanocomposite (abbreviated NiSA/ZIF-300; ZIF = ZIF-8) with exceptional catalytic performance and robustness. The designed NiSA/ZIF-300 has a planar interfacial structure with the Ni atom, involving one S and three N atoms bonded to Ni(II), fabricated by controllable pyrolysis of volatile Ni-S fragments. For CO2 cycloaddition to styrene epoxide, NiSA/ZIF-300 exhibits ultrahigh activity (turnover number (TON) = 1.18 × 105; turnover frequency (TOF) = 9830 molSC·molNi−1·h−1; SC = styrene carbonate) and durability at 70 °C under 1 atm CO2 pressure, which is much superior to Ni complex/ZIF, NiNP/ZIF-300, and most reported catalysts. This study offers a simple method of bifunctional SAC/MOF nanocomposite fabrication and usage, and provides guidance for the precise design of additional original SACs with unique catalytic properties. [ABSTRACT FROM AUTHOR]

Published
2024
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