We study the multipole plasmon mode frequencies of a pair of C60 molecules by means of the linearized hydrodynamic theory for electronic excitations on the each C60 surface. We apply the two-center spherical coordinate system for mathematical convenience and find an explicit form of the surface plasmon energies. Numerical result shows when approaching the two C60 molecules, the coupling between the bare plasmon modes leads to the appearance of additional modes having energies that are different from those of the isolated C60 molecules.
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http://dx.doi.org/10.1063/1.4887096 | DOI Listing |
J Org Chem
January 2025
Department of Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China.
The synthesis of perfluoroalkylated fullerenes (PFAFs) holds significant importance due to their enhanced molecular stability, increased lipophilicity, and high electron affinity. Herein, we report a copper-catalyzed multicomponent reaction conducted under aerobic conditions, which enables the production of highly soluble PFAFs with half-wave reduction potentials similar to those of C. Furthermore, the challenges posed by C-F coupling in carbon signal assignment were addressed through fluorine-decoupled carbon spectroscopy, facilitating precise structural characterization of the perfluoroalkyl moieties.
View Article and Find Full Text PDFNanoscale
January 2025
Institute of Photochemistry and Photofunctional Materials, University of Shanghai for Science and Technology, Shanghai 200093, China.
The electrochemical nitrogen reduction reaction (NRR) has been regarded as a green and promising alternative to the traditional Haber-Bosch process. However, the high bond energy (940.95 kJ mol) of the NN triple bond hinders the adsorption and activation of N molecules, which is a critical factor restricting the catalytic performance of catalysts and their large-scale applications.
View Article and Find Full Text PDFChemphyschem
January 2025
Department of Physics, Zhejiang Normal University, Jinhua, Zhejiang, 321004, P. R. China.
Undesirable loss of open-circuit voltage and current of metal halide perovskite (MHP) solar cells are closely associated with defects, so theoretical calculations have been often performed to scrutinize the nature of defects in bulk of MHPs. Yet, exploring the properties of defects at surfaces of MHPs is severely lacking given the complexity of the surface defects with high concentrations. In this study, I (Pb) antisite defects, namely one Pb (I) site being occupied by one I (Pb) atom at the surfaces of the FAPbI (FA=CH(NH)) material, are found to create electron (hole) traps when the surfaces with I (Pb) antisite defects are negatively (positively) charged.
View Article and Find Full Text PDFOrg Chem Front
December 2024
Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid Av. Complutense S/N 28040 Madrid Spain
Supramolecular chemistry of carbon-based materials provides a variety of chemical structures with potential applications in materials science and biomedicine. Here, we explore the supramolecular complexation of fullerenes C and C, highlighting the ability of molecular nanographene tweezers to capture these structures. The binding constant for the CNG-1⊃C complex was significantly higher than for CNG-1⊃C, showing a clear selectivity for the more π-extended C.
View Article and Find Full Text PDFChem Sci
December 2024
Materials Innovation Factory, Department of Chemistry, University of Liverpool 51 Oxford Street L7 3NY Liverpool UK
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