We report a novel crystalline carbon-cage structure synthesized from laser-driven shock wave loading of a graphite-copper mixture to about 14+/-2 GPa and 1000 +/- 200 K. Quite unexpectedly, it can be structurally related to an extremely compressed three-dimensional C60 polymer with random displacement of C atoms around average positions equivalent to those of distorted C60 cages. Thus, the present carbon-cage structure represents a structural crossing point between graphite interlayer bridging and C60 polymerization as the two ways of forming diamond from two-dimensional and molecular carbon.
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http://dx.doi.org/10.1063/1.1953562 | DOI Listing |
Chemistry
January 2025
Lomonosov Moscow State University: Moskovskij gosudarstvennyj universitet imeni M V Lomonosova, Chemistry Department, RUSSIAN FEDERATION.
We provide important novel insights into skeletal transformations of fullerene by reporting new cases of cage shrinkage in the most abundant C60 fullerene via a C2 loss. High-temperature (400-500 oC) chlorination of IPR C60 with SbCl5 or SbCl5/SbCl3 mixtures predominantly gives non-IPR C60Cln compounds via Stone-Wales rearrangements, but the present study further reveals non-classical C58Cln chlorofullerenes as by-products. The new C58(NC1)Cl20 and C58(NC1)Cl24 chlorides have been isolated by air-free HPLC and structurally characterized by X-ray crystallography.
View Article and Find Full Text PDFChemSusChem
January 2025
State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, School of Resource, Environments and Materials, Guangxi University, Nanning, 530004, China.
Lithium (Li) metal anodes (LMAs), which show a great potential in constructing high-specific-energy-density Li metal batteries (LMBs), have abstracted wide research interest. However, the generation of Li dendrites and the repeated change of volume upon Li plating/stripping severely block the practical commercialization of LMBs. Herein, the functional carbon fibers (CFs) decorated with ZnO embedded carbon cage (ZnO@C-d-CFs) were fabricated successfully by a two-step route including the in-situ growth of Zn-based metal organic frameworks (MOFs) and subsequent carbonization process, which enriched the lithiophilic sites of CFs host and improved Li kinetics of Li plating/stripping.
View Article and Find Full Text PDFNano Lett
December 2024
Center for High Pressure Science (CHiPS), State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao, Hebei 066004, China.
The endohedral fullerene LuN@C was examined using in situ high-pressure measurements, which included electrical transport, Fourier-transform infrared spectroscopy, and Raman spectroscopy, in combination with theoretical calculations. LuN@C was found to undergo a reversible n- to p-type conversion at ∼8.9 GPa.
View Article and Find Full Text PDFInt J Mol Sci
November 2024
School of Science, Northeast Electric Power University, Jilin 131200, China.
Confining protons into an enclosed carbon cage is expected to give rise to unique electronic properties for both the inner proton and the outer cage. In this work, we systematically investigated the geometric and electronic structures of cationic X@C (X = H, HO, and NH), and their corresponding neutral species (X = HO, NH), by quantum chemical density functional theory calculations. We show that C can trap HO, NH, HO and NH at the cage center and only slightly influence their geometries.
View Article and Find Full Text PDFChem Commun (Camb)
December 2024
School of Chemistry, Xi'an Jiaotong University, Xi'an 710049, China.
Since the discovery of La@C, a wide array of endohedral metallofullerenes (EMFs) have been synthesized and documented. Various metals, including lanthanides, transition metals, alkali metals, alkaline earth metals and actinides, have been successfully incorporated into the inert fullerene cavities. The interaction between these encapsulated metal species and the fullerene cage isomers plays a crucial role in determining distinct molecular structures and imparting versatile chemical behaviors to these compounds.
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