نتایج جستجو برای: b80 fullerene
تعداد نتایج: 4783 فیلتر نتایج به سال:
A fullerene molecular tip was used to detect electron tunneling from a single porphyrin molecule. Electron tunneling was found to occur locally from an electron-donating moiety of the porphyrin to the fullerene through charge-transfer interaction between them. In addition, electron tunneling within the single fullerene-porphyrin pair exhibited rectifying behavior in which electrons can be drive...
The electrochemical reduction of tert-butylcalix[8]arene-C(60) particle films was studied using the scanning electrochemical microscope combined with a quartz crystal microbalance (QCM) for several electrolytes in MeCN. Complexation of the fullerene within the film results in a negative shift of the peak potential of the first cathodic wave by about 400 mV compared to the reduction of a pure C(...
To achieve efficient organic solar cells, the design of suitable donor-acceptor couples is crucially important. State-of-the-art donor polymers used in fullerene cells may not perform well when they are combined with non-fullerene acceptors, thus new donor polymers need to be developed. Here we report non-fullerene organic solar cells with efficiencies up to 10.9%, enabled by a novel donor poly...
In this study, the drug atenolol on C60 fullerene were the drug and its derivatives were optimized fullerene. NBO and NMR for complex computations required in the HF/6-31G (d) and B3LYP/6-31G (d) quantum chemistry method was used. Mechanical quantum calculations in theory level of B3LYP/6-31G were performed on structure of atenolol and nano fullerene atenolol with different positions...
A molecular graph M is a simple graph in which atoms and chemical bonds are the vertices and edges of M, respectively. The molecular graph M is called a fullerene graph, if M is the molecular graph of a fullerene molecule. It is well-known that such molecules exist for even integers n ≥ 24 or n = 20. The aim of this paper is to investigate the topological properties of a class of fullerene mole...
A fullerene graph is a 3 regular planar simple finite graph with pentagon or hexagon faces. In these graphs the number of pentagon faces is 12. Therefore, any fullerene graph can be characterized by number of its hexagon faces. In this note, for any h > 1, we will construct a fullerene graph with h hexagon faces. Then, using the leapfrogging process we will construct stable fullerenes with 20 +...
The molecular packing in a polymer: fullerene bimolecular crystal is determined using X-ray diffraction (XRD), molecular mechanics (MM) and molecular dynamics (MD) simulations, 2D solid-state NMR spectroscopy, and IR absorption spectroscopy. The conformation of the electron-donating polymer is significantly disrupted by the incorporation of the electron-accepting fullerene molecules, which intr...
Optical glasses doped with a fullerene mixture of C60/C70 were made in our lab. Three peaks, corresponding to C60 , C70 , and a modified fullerene ~possibly its oxide!, respectively, were found in the chromatogram of high performance liquid chromatography ~HPLC! analysis of the 0.1-wt % fullerene doped phosphate glass. Depending on the doping procedure and impurity, weak to strong interacting b...
We report on the formation of fullerene-derived nanostructures on Au(111) at room temperature and under UHV conditions. After low-energy ion sputtering of fullerene films deposited on Au(111), bright spots appear at the herringbone corner sites when measured using a scanning tunneling microscope. These features are stable at room temperature against diffusion on the surface. We carry out DFT ca...
A fullerene graph is a cubic 3-connected plane graph with (exactly 12) pentagonal faces and hexagonal faces. Let Fn be a fullerene graph with n vertices. A set H of mutually disjoint hexagons of Fn is a sextet pattern if Fn has a perfect matching which alternates on and off each hexagon in H. The maximum cardinality of sextet patterns of Fn is the Clar number of Fn. It was shown that the Clar n...
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