We report the synthesis and catalytic studies of novel palladium nanostructures assembled from small nanoparticles by a surfactant-templated method. These one-dimensional nanomaterials comprise high-density nanocontacts of approximately 1 nm in contact length at the particle-particle interface. In contrast to dispersed Pd nanoparticles ( approximately 5 nm), the polycrystalline palladium nanowires exhibit enhanced ( approximately 200 times) catalytic reactivity towards carbon-carbon cross-couplings under mild conditions. Theoretical modeling studies suggest that the presence of nanocontacts triggers electron transfer and localized charge redistribution in the contact region. The charge redistribution causes the nanocontacts to become highly attractive to charged organic molecules, resulting in the facilitation of organic transformations.
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http://dx.doi.org/10.1039/b9nr00093c | DOI Listing |
J Am Chem Soc
January 2025
School of Chemistry, Beijing Advanced Innovation Center for Biomedical Engineering, Key Laboratory of Bio-Inspired Smart Interfacial Science and Technology, Beihang University, Beijing 100191, China.
The dual-site synergistic catalytic mechanism on NiFeOOH suggests weak adsorption of Ni sites and strong adsorption of Fe sites limited its activity toward alkaline oxygen evolution reaction (OER). Large-scale density functional theory (DFT) calculations confirm that Co doping can increase Ni adsorption, while the metal vacancy can reduce Fe adsorption. The combined two factors can further modulate the atomic environment and optimize the free energy toward oxygen-containing intermediates, thus enhancing the OER activity.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Department of Energy and Refrigerating Air-Conditioning Engineering, National Kaohsiung University of Science and Technology, Kaohsiung, Taiwan.
This study employs first-principles calculations to investigate the geometric and electronic properties of hydrogenated silicon nanotubes (SiNTs). SiNTs, particularly in their gear-like configuration, demonstrate unique semiconducting behavior; however, their relatively small intrinsic band gaps limit their applicability in fields requiring moderate band gaps. Significant changes in electronic properties are observed by hydrogenating SiNTs at various levels of adsorption-either full or partial-and different surface configurations (exterior, interior, or dual-sided).
View Article and Find Full Text PDFACS Nano
January 2025
School of Chemistry and Chemical Engineering, National Special Superfine Powder Engineering Research Center, Nanjing University of Science and Technology, Nanjing 210094, China.
Constructing a strong bonded interface is highly desired to build fast charge-transfer channels and tune reactive sites for optimizing CO photoreduction. In this work, a covalent triazine framework (CTF) combined with a BiSBr heterojunction is designed using an electrostatic self-assembly process. Due to the oppositely charged states between two components and ultrasonic treatment, a strong coupled interface is realized with the formation of Bi-C/N/O bonds, leading to robust interfacial polarization.
View Article and Find Full Text PDFInt J Mol Sci
December 2024
Vinča Institute of Nuclear Sciences-National Institute of the Republic of Serbia, University of Belgrade, Mike Petrovića Alasa 12-14, Vinča, 11351 Belgrade, Serbia.
Technological development has led to the need for materials able to block electromagnetic waves (EMWs) emitted from various devices. EMWs could negatively affect the working performance and lifetime of multiple instruments and measuring devices. New EMW shielding materials are being developed, while among nanomaterials, graphene-based composites have shown promising features.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei 230031, China.
Unveiling the nonlinear interactions between terahertz (THz) electromagnetic waves and free carriers in two-dimensional materials is crucial for the development of high-field and high-frequency electronic devices. Herein, we investigate THz nonlinear transport dynamics in a monolayer graphene/MoS heterostructure using time-resolved THz spectroscopy with intense THz pulses as the probe. Following ultrafast photoexcitation, the interfacial charge transfer establishes a nonequilibrium carrier redistribution, leaving free holes in the graphene and trapping electrons in the MoS.
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