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Endohedral Metallic Fullerene M3@ C70-- A Novel nano electronic compounds


The co-research paperofProfessor Sa Baisheng team by Fuzhou University,  , Xiamen Funano New Material TechnologyCo.,Ltd., and Xi`An Modern Chemistry Research Institute, “ Computational mining of endohedral C70electrides: tri-metal alkali and alkaline-earth encapsulation”, waspublished on Dalton Transactions,2022,Vol.51,pp16836-16844on 19th of October,2022.

During the research, the research team explorethe C70 based electron compound based on theoretically encapsulate clusters ofmain group I/II metal elements into C70 cages.

The study provides computational evidence for the stable existence ofembedded metal fullerenes M3@C70 (M = Li, Na, K, Be, Mg, Ca, Sr, Ba) bycalculating encapsulation energy and analyzing atom-center density matrixpropagation molecular dynamics simulations.M3@C70 (M = Li, Be, Mg, Ca)fullerenes were identified as electronic compounds based on molecular analysis,electron localization function and nonlinear optical properties.In addition,compared with c60 based electrode, C70 can improve the polarization of theelectrode and the first hyperpolarization value.The study reveals the potentialof the M3@C70 electron compound system, fills the gap of fullerene C70 basedelectron compounds, and lays the foundation for the research of C70 basedelectron compounds. The related results will facilitate the rational design anddiscovery of new electrochemical materials.


Paper Linkhttps://pubs.rsc.org/en/content/articlelanding/2022/DT/D2DT02919G


Xiamen Funano New Material Technology Co., LTD.,as the world's leading fullerene manufacturer, focuses on the industrialpreparation of fullerene, application product research and the promotion of newfullerene industry.After more than ten years of study and research, Funano NewMaterials has solved the problem of industrial mass production of fullerene rawmaterials, and through independent research and development and cooperativedevelopment, develops industrial catalysis, biomedicine, new energy and otherfields of application.In the future, Funano will continue to increase both theR&D and investment, through the construction and promotion of"fullerene +" industry platform, expand the application of fullerene,towards the vision of "let fullerene benefit mankind" and steadilymove forward!