Fullerene

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

Di(4-methylphenyl)methano-C60 Bis-Adduct for Efficient and Stable Organic Photovoltaics with Enhanced Open-Circuit Voltage

Abstract: A new class of fullerene bis-adducts—di(4-methylphenyl)methano-C60 bis-adduct (DMPCBA), di(4-fluorophenyl)methano-C60 bis-adduct (DFPCBA), and diphenylmethano-C60 bis-adduct (DPCBA)—were rationally designed and easily synthesized. Compared to the lowest unoccupied molecular orbital (LUMO) energy level of PC61BM (−3.95 eV), the double functionalization effectively raises the LUMO energy levels of these fullerene materials to ca. −3.85 eV, regardless of the substituent groups (CH3–, F–, and H−) at the para-position of the phenyl rings. This phenomenon suggests that the plane of the phenyl groups is preferentially parallel to the fullerene surface, leading to poor orbital interactions with C60 and negligible electronic effect. Importantly, such geometry sterically protects and shields the core C60 structure from severe intermolecular aggregation, rendering it intrinsically soluble, morphologically amorphous, and thermally stable. The device based on the P3HT:DMPCBA blend exhibited an open-circuit voltage (Vo...

Structural Features of Highly Stable Reproducible C60 Fullerene Aqueous Colloid Solution Probed by Various Techniques

Abstract: The method of preparation of highly stable reproducible C60 fullerene aqueous colloid solution is described. The structural organization of C60 fullerenes in aqueous solution was studied and analyzed in detail using various techniques such as chemical analysis, UV/VIS spectroscopy, atomic force and scanning tunneling microscopy, dynamic light scattering, and zeta potential methods.

Analogies between Boron and Carbon

Abstract: The structural connections between the compounds of boron and carbon are extended using the mno rule beyond the borane−carbocation continuum, the lithium boride−polycarbyne analogy, and the magnesium boride (MgB2)−graphite equivalence to β-rhombohedral boron and fullerenes. The structural similarity of the pentagonal pyramidal C6H62+ and MgB4 is established. An interesting electronic structural relationship between the B84 fragment of the β-rhombohedral boron and the fulleride anion, C6012-, is derived by replacing the 12 pentagonal pyramidal B64- units by isoelectronic C5- units and removing the central B12 from the electron-deficient B84 unit. This relationship is well supported by the experimental realization of C60M12 (M = Li, K) and C48N12.

C62: Theoretical Evidence for a Nonclassical Fullerene with a Heptagonal Ring

Abstract: Six different levels of theory agree in predicting a C62 cage with one heptagonal, 13 pentagonal, and 19 hexagonal rings to be of lower total energy than all 2385 “classical” 12-pentagon fullerene isomers. At the LDA level of density functional theory the nonclassical structure, which uniquely has three pentagon−pentagon and five pentagon−heptagon edges, is more stable than its nearest fullerene rival by 36 kJ mol-1.

Fullerenes as tilings of surfaces

Abstract: If a fullerene is defined as a finite trivalent graph made up solely of pentagons and hexagons, embedding in only four surfaces is possible: the sphere, torus, Klein bottle, and projective (elliptic) plane. The usual spherical fullerenes have 12 pentagons; elliptic fullerenes, 6; and toroidal and Klein-bottle fullerenes, none. Klein-bottle and elliptic fullerenes are the antipodal quotients of centrosymmetric toroidal and spherical fullerenes, respectively. Extensions to infinite systems (plane fullerenes, cylindrical fullerenes, and space fullerenes) are indicated. Eigenvalue spectra of all four classes of finite fullerenes, are reviewed. Leapfrog fullerenes have equal numbers of positive and negative eigenvalues, with 0, 0, 2, or 4 eigenvalues zero for spherical, elliptic, Klein-bottle, and toroidal cases, respectively.