We have used scanning tunneling spectroscopy to spatially map the energy-resolved local density of states of individual C60 molecules on the Ag(100) surface. Spectral maps were obtained for molecular states derived from the C60 HOMO, LUMO, and LUMO+1 orbitals, revealing new details of the spatially inhomogeneous C60 local electronic structure. Spatial inhomogeneities are explained using ab initio pseudopotential density functional calculations. These calculations emphasize the need for explicitly including the C60-Ag interaction and STM tip trajectory to understand the observed C60 local electronic structure.
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http://dx.doi.org/10.1103/PhysRevLett.90.096802 | DOI Listing |
Fullerenes are statically pleasant species featuring symmetric cages, which can be modified upon reduction. Here, we theoretically account for the variation of 13C-NMR patterns in C60 and C70 upon six-fold reduction and the overall variation of the enabled shielding/deshielding regions induced by π and σ electrons according to different orientations of the external field and the related anisotropy. Our results show a significant modification of the chemical shift given by the main variation of the σ33 (or δ33) shielding component under the principal axis system (PAS) of the chemical shift anisotropy (CSA) at the representative carbon nucleus.
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 PDFChem Sci
December 2024
Materials Innovation Factory, Department of Chemistry, University of Liverpool 51 Oxford Street L7 3NY Liverpool UK
Front Biosci (Landmark Ed)
December 2024
Research Centre for Medical Genetics, 115522 Moscow, Russia.
Background: There is a growing interest in exploring the biological characteristics of nanoparticles and exploring their potential applications. However, there is still a lack of research into the potential genotoxicity of fullerene derivatives and their impact on gene expression in human cells. In this study, we investigated the effects of a water-soluble fullerene derivative, C60[C6H4SCH2COOK]5H (F1), on human embryonic lung fibroblasts (HELF).
View Article and Find Full Text PDFBeilstein J Org Chem
October 2024
Department of Biotechnology and Pharmaceutical Engineering, Graduate School of Engineering, Toyama Prefectural University, 5180 Kurokawa, Imizu City, Toyama 939-0398, Japan.
We have reported that upon visible light irradiation, ferrocene-porphyrin-[60]fullerene triad molecules yield long-lived charge-separated states, enabling the control of the plasma membrane potential ( ) in living cells. These previous studies indicated that the localization of the triad molecules in a specific intra-membrane orientation and the suppression of the photodynamic actions of the [60]fullerene (C) moiety are likely important to achieve fast and safe control of , respectively. In this study, by mimicking our previous system of triad molecules and living cells, we report a simplified model system with a cationic C derivative (catC) and a liposome with embedded 1-pyrenebutyric acid (PyBA) to demonstrate that the addition of PyBA was important to achieve fast and safer control of .
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