Molecular aggregation method for perovskite–fullerene bulk heterostructure solar cells
Su Ryong HaWoo Hyeon JeongYanliang LiuJae Teak OhSung Yong BaeSeungjin LeeJae Won KimSujoy BandyopadhyayHong In JeongJin Young KimYounghoon KimMyoung Hoon SongSung Heum ParkSamuel D. StranksBo Ram LeeRichard H. FriendHyosung Choi
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We report morphological control with phenyl-C60-butyric acid methyl ester (PCBM) molecular aggregation for perovskite–PCBM bulk heterostructure (Pe–PCBM BHS) solar cells.The structures and stabilities of carbon fullerenes C n ( n =20–94) are studied with tight-binding molecular dynamics in combination with a new scheme for generating energetically favorable fullerene networks. Magic numbers for fullerene formation energy are observed at n =60, 70 and 84. The experimental observation of the more abundant fullerenes is related to the fragmentation stabilities and chemical reactivities of the fullerenes obtained from our calculations.
Fragmentation
Carbon fibers
Magic number (chemistry)
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Fullerene chemistry
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Fullerene chemistry
Carbon fibers
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The title fullerenes have been reduced under conditions (Zn, conc. HCl, toluene solution, 1h, N2, dark, room temp.) that give C60H36 from [60]fullerene and C70H36–40 from [70]fullerene. Reduction of [76]fullerene gives C76H46–50, [78]fullerene gives a broader spectrum of reduction products (consistent with the diverse isomeric composition of the parent fullerene), the most abundant species being C78H36 and C78H48(main component), and [84]fullerene yields mainly C84H48–52. In each case, reduction of the higher fullerenes is accompanied by cage breakdown to C60H36 and C70H36–40 the relative proportions of which vary with the starting fullerene. Thus reduction of [76]fullerene gave only a trace of C70H30–40, whereas [78]fullerene gave considerably more. Reduction of [84]fullerene over an extended period (5h) resulted in complete degradation to C60H36. HPLC separation of the hydrogenated fullerenes on a Cosmosil column (toluene eluent), showed them to elute more rapidly the larger the cage, as found previously for C60H36 and C70H36–40. By contrast, on the same column and under the same conditions, the parent fullerenes elute more slowly the higher the molecular weight.
Fullerene chemistry
Cage
Degradation
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1: Preliminaries and historical overview. 2: Theoretical tools of fullerene research. 3: The C60 fullerene. 4: The C70 fullerene. 5: C76, C78, C82, and C84: The medium-size fullerenes. 6: Large spheroidal and tubular fullerenes, graphitic microtubules, and hypothetical polymeric allotropes of carbon. 7: Fullerenes with fewer than sixty carbon atoms. 8: Endohedral complexes. 9: Heterofullerenes and fullerene derivatives. 10: Solid-state properties of fullerenes and their drivatives. 11: Conclusions and future directions
Carbon fibers
Fullerene chemistry
Endohedral fullerene
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We compare the solar cell performance of several polymers with the conventional electron acceptor phenyl-C61-butyric acid methyl ester (PCBM) to fullerenes with one to three indene adducts. We find that the multiadduct fullerenes with lower electron affinity improve the efficiency of the solar cells only when they do not intercalate between the polymer side chains. When they intercalate between the side chains, the multiadduct fullerenes substantially reduce solar cell photocurrent. We use X-ray diffraction to determine how the fullerenes are arranged within crystals of poly-(2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b]thiophene) (PBTTT) and suggest that poor electron transport in the molecularly mixed domains may account for the reduced solar cell performance of blends with fullerene intercalation.
Fullerene chemistry
Electron acceptor
Photocurrent
Side chain
Acceptor
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A fullerene is any molecule composed entirely of carbon, in the form of a hollow sphere, ellipsoid, tube, and many other shapes. In this paper were considered works on formation and the synthesis of fullerenes in flames in the following sections, such as, the structure and properties of fullerenes; applications of fullerenes; methods for identification of fullerenes; methods for producing fullerenes; formation and synthesis of fullerenes in flame; synthesis of fullerenes in flames with applied electrical field; mechanism of fullerenes formation. Also was presented modified scheme for soot and fullerenes formation process in flames. It has been found that if the peripheral zone of the benzene flame is heated by some external source, such as a laser beam, which not just burns the soot but also creates the same conditions as in the middle of the flame, the concentration of fullerenes increases. The increase in the yield of fullerenes in the case where a ring electrode is positioned above the peripheral part of the reaction zone of a flame is due to the glow-discharge conditions providing an effective synthesis of fullerenes.
Fullerene chemistry
Carbon fibers
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The growth and structures of three new cocrystalsC9Cl6Br3N·C60, C9Cl6Br3N·C70, and C9Cl6H3N·3C70·3C6H5Clinvolving fullerenes and halogenated azatriquinacenes are reported. In each case, the fullerene is completely ordered and avoids the orientational disorder found in many crystalline fullerenes and fullerene cocrystals. In each structure, the upper Cl6 surface of the halogenated azatriquinacene molecule cups a fullerene. In C9Cl6Br3N·C60 and C9Cl6Br3N·C70, the molecules are arranged alternately in columns with the lower Br3 face of the azatriquinacene also interacting with a neighboring fullerene. In C9H3Cl6N·3C70·3C6H5Cl, one of the fullerenes is cupped by the upper surface of the azatriquinacene, while four chlorobenzene molecules also form a belt around it.
Chlorobenzene
Fullerene chemistry
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Hybrid solar cell
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Identification of perovskite–fullerene interactions explained the beneficial effects of fullerene derivatisation for perovskite:fullerene films. Understanding these systems led to structurally optimised fullerene for improved perovskite solar cells.
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