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Fullerene

About: Fullerene is a research topic. Over the lifetime, 12723 publications have been published within this topic receiving 359173 citations.


Papers
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Journal ArticleDOI
TL;DR: In this article, the intershell and interlayer interaction (complexation) energies of C60 inside C240 (C60@C240) and of graphene sheets are investigated by all-electron density functional theory using generalized gradient approximation (GGA) functionals and a previously developed empirical correction for dispersion (van der Waals) effects (DFT−D method).
Abstract: The intershell and interlayer interaction (complexation) energies of C60 inside C240 (C60@C240) and of graphene sheets are investigated by all-electron density functional theory (DFT) using generalized gradient approximation (GGA) functionals and a previously developed empirical correction for dispersion (van der Waals) effects (DFT−D method). Large Gaussian basis sets of polarized triple-ζ quality that provide very small basis set superposition errors (<10% of ΔE) are employed. The theoretical approach is first applied to graphene sheet model dimers of increasing size (up to (C216H36)2). The interaction energies are extrapolated to infinite lateral size of the sheets. The value of −66 meV/atom obtained for the interaction energy of two sheets supports the most recent experimental estimate for the exfoliation energy of graphite (−52 ± 5 meV/atom). The interlayer equilibrium distance (334 ± 3 pm) is also obtained accurately. The binding energy of C60 inside C240 is calculated to be −184 kcal mol-1 which is...

227 citations

Journal ArticleDOI
TL;DR: The resultant C60-grafted graphene nanosheets were used as electron acceptors in poly(3-hexylthiophene)-based bulk heterojunction solar cells to significantly improve the electron transport and hence the overall device performance, yielding a power conversion efficiency of ∼1.22%.
Abstract: A simple lithiation reaction was developed to covalently attach monosubstituted C60 onto graphene nanosheets. Detailed spectroscopic (e.g., Fourier transform infrared, Raman) analyses indicated that C60 molecules were covalently attached onto the graphene surface through monosubstitution. Transmission electron microscopic (TEM) observation revealed that these monosubstituted C60 moieties acted as nucleation centers to promote the formation of C60 aggregates of ∼5 nm in diameter on the graphene surface. The resultant C60-grafted graphene nanosheets were used as electron acceptors in poly(3-hexylthiophene)-based bulk heterojunction solar cells to significantly improve the electron transport, and hence the overall device performance, yielding a power conversion efficiency of ∼1.22%.

226 citations

Journal ArticleDOI
TL;DR: In this paper, the morphology of polymer-fullerene blend films was investigated using poly(3-hexylthiophene)====== (P3HT) as the polymer and C61-butyric acid methyl ester (PCBM) or the newly synthesized polymerizable fullerene derivative, C61butyrous acid glycidol ester, PCBG, as the acceptor molecule, respectively.
Abstract: The morphological stabilization of donor–acceptor blends for bulk heterojunction solar cells can be achieved by cross-linking of the small molecular phase in the polymer matrix using a polymerizable fullerene derivative. In a comparative study the morphology of polymer–fullerene blend films was investigated using poly(3-hexylthiophene) (P3HT) as the polymer and C61-butyric acid methyl ester (PCBM) or the newly synthesized polymerizable fullerene derivative, C61-butyric acid glycidol ester, PCBG, as the acceptor molecule, respectively. Changes in the nanomorphology due to heat treatment of the films were studied by means of atomic force microscopy (AFM), transmission electron microscopy (TEM) and photoluminescence (PL) studies. The polymerization process was monitored with infrared absorption studies. As demonstrated by these comparative studies this newly synthesized fullerene gives considerable stabilization of the solid state morphology in these blends. Such prevention of the long term, high temperature instability of bulk heterojunction morphology displays an important route to increase the operational stability of plastic solar cells in future applications.

225 citations

Patent
08 Dec 1994
TL;DR: In this paper, the authors introduce methods of introducing functional groups onto the surface of such fibrils, which are then used to attach functional groups to the surfaces of such structures.
Abstract: Graphitic nanotubes, which includes tubular fullerenes (commonly called “buckytubes”) and fibrils, which are functionalized by chemical substitution or by adsorption of functional moieties. More specifically the invention relates to graphitic nanotubes which are uniformly or non-uniformly substituted with chemical moieties or upon which certain cyclic compounds are adsorbed and to complex structures comprised of such functionalized fibrils linked to one another. The invention also relates to methods of introducing functional groups onto the surface of such fibrils.

225 citations

Journal ArticleDOI
TL;DR: In this article, the authors induced sublimation of suspended few-layer graphene by in situ Joule-heating inside a transmission electron microscope and observed a fractal-like “coastline” morphology.
Abstract: We induced sublimation of suspended few-layer graphene by in situ Joule-heating inside a transmission electron microscope. The graphene sublimation fronts consisted of mostly {1100} zigzag edges. Under appropriate conditions, a fractal-like “coastline” morphology was observed. Extensive multiple-layer reconstructions at the graphene edges led to the formation of unique carbon nanostructures, such as sp2-bonded bilayer edges (BLEs) and nanotubes connected to BLEs. Flat fullerenes/nanopods and nanotubes tunneling multiple layers of graphene sheets were also observed. Remarkably, >99% of the graphene edges observed during sublimation are BLEs rather than monolayer edges (MLEs), indicating that BLEs are the stable edges in graphene at high temperatures. We reproduced the “coastline” sublimation morphologies by kinetic Monte Carlo (kMC) simulations. The simulation revealed geometrical and topological features unique to quasi-2-dimensional (2D) graphene sublimation and reconstructions. These reconstructions were enabled by bending, which cannot occur in first-order phase transformations of 3D bulk materials. These results indicate that substrate of multiple-layer graphene can offer unique opportunities for tailoring carbon-based nanostructures and engineering novel nano-devices with complex topologies.

224 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
2023542
20221,244
2021366
2020346
2019411
2018420