Fullerene

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

Energies of fullerenes.

Abstract: To understand fullerenes, it is crucial to determine the energies, and hence the relative stabilities, of different structures. Here we introduce an approach to calculating and understanding these energies, by applying elasticity theory. Explicit formulas are given for the energies of ball-shaped molecules, graphite tubules, and the recently proposed negative-curvature fullerenes. Extensive atomistic calculations confirm the validity of the formulas. These results provide a general perspective on the relative stability of the different fullerenes

Mobilities of carbon cluster ions: Critical importance of the molecular attractive potential

Abstract: Mobilities in helium gas for isomers belonging to the major structural families of carbon clusters identified in drift tube studies (chains, monocyclic and bicyclic rings, graphite sheets, and fullerenes and their dimers) have been evaluated by trajectory calculations employing a realistic ion-He interaction potential. For all the species considered, the agreement between the measured and calculated mobilities at room temperature improves by at least a factor of 3 over that obtained with the widely used hard-sphere projection approximation. Furthermore, for a large representative sample of clusters belonging to all the above families, the results of trajectory calculations as a function of temperature over the range of 78–360 K are in a good agreement with the measured mobilities. This shows that the C–He pairwise potential is only weakly dependent on the structure and chemical bonding of a carbon cluster. Thus this study demonstrates the universal suitability of trajectory calculations for the accurate p...

Materials for the Active Layer of Organic Photovoltaics: Ternary Solar Cell Approach

Abstract: Power conversion efficiencies in excess of 7 % have been achieved with bulk heterojunction (BHJ)-type organic solar cells using two components: p- and n-doped materials. The energy level and absorption profile of the active layer can be tuned by introduction of an additional component. Careful design of the additional component is required to achieve optimal panchromatic absorption, suitable energy-level offset, balanced electron and hole mobility, and good light-harvesting efficiency. This article reviews the recent progress on ternary organic photovoltaic systems, including polymer/small molecule/functional fullerene, polymer/polymer/functional fullerene, small molecule/small molecule/functional fullerene, polymer/functional fullerene I/functional fullerene II, and polymer/quantum dot or metal/functional fullerene systems.

Chemisorption of hydrogen molecules on carbon nanotubes under high pressure

Abstract: Based on first principles calculations, we propose a mechanism for the dissociative chemisorption of H2 on carbon nanotubes. The breaking of the H—H bond is concerted with the formation of two C—H bonds on two adjacent carbon nanotubes in solid phase, facilitated by the application of high pressure which shortens the interstitial distance between nanotubes. The process is reversible upon the release of external pressure and could make an important contribution to the observed hydrogen storage capacity of carbon nanotubes. The previously unexplained experimental observations of the direct hydrogenation of fullerenes under high pressure lend further support for such a mechanism.