Search results for "FULLERENE"

Polymer solar cells with novel fullerene-based acceptor

2004

Abstract Alternative acceptor materials are possible candidates to improve the optical absorption and/or the open circuit voltage of polymer–fullerene solar cells. We studied a novel fullerene-type acceptor, DPM-12, for application in polymer–fullerene bulk heterojunction photovoltaic devices. Though DPM-12 has the identical redox potentials as methanofullerene PCBM, surprisingly high open circuit voltages in the range V OC =0.95 V were measured for OC 1 C 10 -PPV:DPM-12-based samples. The potential for photovoltaic application was studied by means of photovoltaic characterization of solar cells including current–voltage measurements and external quantum yield spectroscopy. Further studies …

Improved performance in flexible organic solar cells by using copolymeric phase-separation modulators

2018

One of the main problems related to the low performance of the organic solar cells (OSCs), concerns the low mobility of the materials constituting the heterojunction. Indeed, the poor charge transport in the active layer is the principal cause of a competition between separation and recombination of the photogenerated carriers. In this regard, a major obstacle to enhance OSCs efficiency is developing strategies to optimize the exciton dissociation and, consequently, the charge collection at the electrodes. Donor and acceptor systems must be well mixed on the length scale of 5 – 20 nm (exciton diffusion length) to meet the criteria for efficient exciton dissociation. In addition, the network…

Probing the thermal stability and the decomposition mechanism of a magnesium-fullerene polymer via X-ray Raman spectroscopy, X-ray diffraction and mo…

2016

International audience; We report the microscopic view of the thermal structural stability of the magnesium intercalated fullerene polymer Mg2C60. With the application of X-ray Raman spectroscopy and X-ray diffraction, we study in detail the decomposition pathways of the polymer system upon annealing at temperatures between 300 and 700 degrees C. We show that there are at least two energy scales involved in the decomposition reaction. Intermolecular carbon bonds, which are responsible for the formation of a 2D fullerene polymer, are broken with a relatively modest thermal energy, while the long-range order of the original polymer remains intact. With an increased thermal energy, the crystal…

Charge-Separation and Charge-Recombination Rate Constants in a Donor–Acceptor Buckybowl-Based Supramolecular Complex: Multistate and Solvent Effects

2021

The kinetics of the nonradiative photoinduced processes (charge-separation and charge-recombination) experimented in solution by a supramolecular complex formed by an electron-donating bowl-shaped truxene-tetrathiafulvalene (truxTTF) derivative and an electron-accepting fullerene fragment (hemifullerene, C30H12) has been theoretically investigated. The truxTTF·C30H12 heterodimer shows a complex decay mechanism after photoexcitation with the participation of several low-lying excited states of different nature (local and charge-transfer excitations) all close in energy. In this scenario, the absolute rate constants for all of the plausible charge-separation (CS) and charge-recombination (CR)…

Probing molecular wire: synthesis of donor-acceptor ensembles exhibiting long range electron transfer

2005

A series of donor–acceptor arrays (C60–oligo-PPV–exTTF; 16–20) incorporating p-conjugated oligo(phenylenevinylene) wires (oligo-PPV) of different length between p-extended tetrathiafulvalene (exTTF) as electron donor and C60 as electron acceptor has been prepared by multistep convergent synthetic approaches. The electronic interactions between the three electroactive species present in 16–20 were investigated by UV-visible spectroscopy and cyclic voltammetry (CV). Our studies clearly show that, although the C60 units are connected to the exTTF donors through a p-conjugated oligo- PPV framework, no significant electronic interactions are observed in the ground state. Interestingly, photoindu…

Molecular wires - long range electron tunneling and hopping in novel donor-acceptor ensembles

2004

Diphenylmethanofullerene (DPM): a new and efficient acceptor in bulk heterojunction solar cells

2005

Atoms and molecules in cavities: A method for study of spatial confinement effects

1995

A general method for solving the problems of spatially confined quantum mechanical systems is proposed. The method works within the framework of the model space approximation. In the case of atoms and molecules trapped into any-shape microscopic cavity (like molecular sieves or fullerenes), the method reduces to a simple modification of the commonly used basis-set quantum chemical calculations. The modification consists of a particular rotation and projection in the model space, leading to solutions better adapted to the boundary conditions of the spatial confinement than the functions that describe the free systems. To illustrate how this method works, it has been applied to the hydrogen a…

Model-free determination of dissociation energies of polyatomic systems.

2001

We describe and apply a new procedure that allows a direct determination of dissociation energies of polyatomic systems (clusters, fullerenes, polymers, and other molecules) without any modeling of the systems under investigation. As an example, we have determined the dissociation energies of a series of gold clusters Au(+)n. A comparison with values obtained from statistical models of unimolecular dissociation shows that these models significantly fail to describe the data. In contrast, the new method yields values which are an order of magnitude more accurate, thus allowing one to experimentally set benchmarks for any theory which attempts to describe activated processes.

A paradigm of fullerene

2009

We study the dynamics of an electron constrained over the surface of a rigid sphere, with geometrical parameters similar to those of the C60 fullerene, embedded in a low intensity linearly polarized laser field. The model is shown to emit odd harmonics of the laser even at very low field intensity. For more intense laser fields, the spectrum presents odd harmonics and hyper-Raman lines shaped in a broad plateau. The spectrum of the model is compared to that theoretically obtained by other authors for more realistic models of C60. It is concluded that the model can be used as a paradigm for mesoscopic molecules in the fullerene family, particularly in practical applications where it is conve…