We report a small molecule tandem organic photovoltaic (OPV) cell with a high power conversion efficiency (PCE) of 7.27%. This cell contains two subcells with an identical mixed active layer of C70:5 wt%TAPC (1,1-bis-(4-bis(4-methyl-phenyl)-amino-phenyl)-cyclohexane). The performance was dramatically improved by simply inserting a thin boron subphthalocyanine chloride (SubPc) interlayer, which ...

Dissociation of an acid molecule in aqueous media is one of the most fundamental solvation processes but its details remain poorly understood at the distinct molecular level. Conducting high-pressure treatments of an open-cage fullerene C70 derivative with hydrogen fluoride (HF) in the presence of H2O, we achieved an unprecedented encapsulation of H2O·HF and H2O. Restoration of the opening yiel...

This report deals with the quantum-chemical evaluation of energetics and thermodynamics simultaneous encapsulation HF H2O by IPR (isolated pentagon rule) C70 fullerene cage, yielding H2O·HF@C70 species which were synthesized characterized recently, thus further expanding family endohedrals non-metallic encapsulates. The structures optimized at DFT (density functional theory) M06-2X/6-31++G** le...

Enthalpies of dissolution of C60 and C70 in o-xylene, toluene, and CS2 have been measured by a Calvet MS-80 microcalorimeter at temperatures from 293.15 K to 313.15 K. It was observed that the dissolution of C60 in the three organic solvents in the above range of temperatures was exothermic, while the dissolution of C70 in the same three solvents was endothermic. The enthalpy of dissolution of ...

The electronic and vibrational contributions to the static dipole polarizability of C70 fullerene are determined using the finite-field method within the density functional formalism. Large polarized Gaussian basis sets augmented with diffuse functions are used and the exchange-correlation effects are described within the Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA). The ...

The permutation-inversion symmetry group of fullerite C70 in the intermediate phase (at temperatures 270 K < T < 340 K) and the permutation-inversion site symmetry group of a rotating molecule C70 in a nonrigid crystal are generated. Their irreducible representations compatible with the principle of symmetry of wave functions with respect to the permutations of identical nuclei are found. Group...

Optical absorption spectra of higher fullerenes (C70 and C76) as well as of C60 are calculated by a tight binding model with a long range Coulomb interaction. A reasonable parameter set gives calculated spectra which are in overall agreement with the experiments of of C60 and C70 in solutions. The variations of the spectral shape are discussed relating with the symmetry reduction going from C60...

We propose a two-state electric field-driven room-temperature single-molecule switch based on a dipolar molecule enclosed inside ellipsoidal fullerene C70. We show that the two low-energy minima of the molecular dipole inside the C70 cage provide distinguishable molecular states of the system that can be switched by application of an external electric field.

The regioselective synthesis of easily isolable pure bismethano derivatives of C60 and C70 with high steric congestion is described using 1,3-dibenzoylpropane bis-p-toluenesulfonyl hydrazone as the addend precursor. When the addition occurs at two [6,6] ring junctions within the same hexagon, bisadducts with mirror symmetry are obtained for both C60 and C70. When the addition occurs at two [5,6...

at a commercial feed mill and were of similar nutritional composition. Feed form variations were made my grinding a portion of the pellets produced for each diet phase. The HQP diets averaged 78.6% intact pellets and the GP diets averaged a 1,108 micron particle size. On D42, YP1 improved ending weight (EW; P=0.022) and feed conversion ratio (FCR; P=0.022). However, no YP Carryover effect was d...