A novel polymer donor (PBDTS-Se) is designed to match with a non-fullerene acceptor (SdiPBI-S). The corresponding solar cells show a high efficiency of 8.22%, which result from synergetic improvements of light harvesting, charge carrier transport and collection, and morphology. The results indicate that rational design of novel donor materials is important for non-fullerene organic solar cells.

A purification procedure for C60 from the fullerene extract has been developed using the differential complexation of C60 and C70 with AlCl3 (or its conjugate acid) in CS2 solution. In addition to pure C60 (>99.8%), the procedure also provides C70-enriched fullerene mixture.

In this research at the Adenine tautomers and their fullerene derivatives were optimized. NBO calculations and NMR for the tautomers and their Fullerene derivatives were carried out at the B3lyp/6-31G*quantum chemistry level. The core and the valence electrons of atoms were compared. Other cases examined in this study, resonance energy, chemical potential (µ ),...

In-situ ESR/UV-vis-NIR spectroelectrochemistry was implemented to probe the spin state of the radical cation of a non-IPR cluster-fullerene Sc(3)N@C(68), which represents the first study on the stable paramagnetic cation of an endohedral fullerene.

A novel fullerene cathode interlayer is employed to facilitate the fabrication of stable and efficient perovskite solar cells. This modified fullerene surfactant significantly increases air stability of the derived devices due to its hydrophobic characteristics to enable 80% of the initial PCE to be retained after being exposed in ambient condition with 20% relative humidity for 14 days.

A designed fullerene-sugar hybrid effectively and selectively degraded the target protein, HIV-1 protease, which has high affinity for the fullerene moiety; degradation was achieved using long-wavelength UV or visible photo-irradiation, in the absence of any additives and under neutral conditions.

  Purpose: Today considerable advances have been achieved in application of nano-particles.   Fullerene is one of the artificial forms of carbon element. Long life cycle of medicines in the   human body is a success factor in delivery of medicine to the specific place. Lots of nanoparticles   are being developed in this field and from a medical point of view, achieving such   goals is vital. Th...

In this research at the first, xylometazoline hydrochloride drug (XY) and its fullerene connected form (FXY) were optimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at the B3LYP/6-31G* quantum chemistry level, in the gas phase and the liquid phase. These calculations can be performed at different accuracy levels depending on the aim of the theoretical study....

The substitution reaction of pure, silicon doped and germanium doped fullerenes and tetryl were evaluated computationally at two configurations, in this study. For this purpose, all of the studied structures were optimized geometrically and then IR and NBO calculations were performed on them in the temperature range of 300-400 K at 10˚ intervals. The obtained negative values of Gibbs free energ...

In this research at the first, captopril drug (CA) and its fullerene connected form (FCA) wereoptimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at theB3LYP/6-31G quantum chemistry level, in the gas phase and the liquid phase. These calculations canbe performed at different accuracy levels depending on the aim of the theoretical study [1]. Forinstance, Densi...