Designing spirobifullerene core based three-dimensional cross shape acceptor materials with promising photovoltaic properties for high-efficiency organic solar cells

The development of organic electron acceptor materials is one of the key factors for realizing high-performance organic solar cells (OSCs). Nonfullerene electron acceptors, compared to traditional fullerene acceptor materials, have gained much impetus owing to their better optoelectronic tunabilities and lower cost, as well as higher stability. Therefore, 5 three-dimensional (3D) cross-shaped acceptor materials having a spirobifullerene core flanked with 2,1,3-benzothiadiazole are designed from a recently synthesized highly efficient acceptor molecule SF(BR) ₄ and are investigated in detail with regard to their use as acceptor molecules in OSCs. The density functional theory (DFT) and time-dependent DFT (TDDFT) calculations have been performed for the estimation of frontier molecular orbital (FMO) analysis, density of states analysis, reorganization energies of electron and hole, dipole moment, open-circuit voltage, photo-physical characteristics, and transition density matrix analysis. In addition, the structure-property relationship is studied, and the influence of end-capped acceptor modifications on photovoltaic, photo-physical, and electronic properties of newly selected molecules ( H1-H5 ) is calculated and compared with reference ( R ) acceptor molecule SF(BR) ₄ . The structural tailoring at terminals was found to effectively tune the FMO band gap, energy levels, absorption spectra, open-circuit voltage, reorganization energy, and binding energy value in selected molecules H1 to H5 . The 3D cross-shaped molecules H1 to H5 suppress the intermolecular aggregation in PTB7-Th blend, which leads to high efficiency of acceptor material H1 to H5 in OSCs. Consequently, better optoelectronic properties are achieved from designed molecules H1 to H5 . It is proposed that the conceptualized molecules are superior than highly efficient spirobifullerene core-based SF(BR) ₄ acceptor molecules and, thus, are recommended to experiments for future developments of highly efficient solar cells.     

Potential formation and high density plasma production on the tandem mirror GAMMA 10

GAMMA 10 experiments have advanced in high density experiments after the last EPS Workshop where we reported high density plasma production by using an ion cyclotron range of frequency heating at a high harmonic frequency and neutral beam injection in the central cell. Recently a high density plasma was obtained with much improved reproducibility than before and without degradation of diamagnetic signal. The high density plasma was attained by adjusting the spacing of the conducting plates installed in the anchor transition regions. Dependencies of particle confinement time, ion energy confinement time and plasma confining potential on plasma density were obtained for the first time in the high density region. Presented at 5th Workshop “Role of Electric Fields in Plasma Confinement and Exhaust”, Montreus, Switzerland, June 23–24, 2002.     

Enantioselective total synthesis of epoxyquinone natural products (−)-phyllostine, (+)-epoxydon, (+)-epiepoxydon and (−)-panepophenanthrin: access to versatile chiral building blocks through enzymatic kinetic resolution

A new enzyme mediated protocol to access versatile chiral building blocks for the synthesis of epoxyquinone natural products is delineated. Total syntheses of (−)-phyllostine, (+)-epoxydon, (+)-epiepoxydon and (−)-panepophenanthrin have been accomplished to demonstrate the efficacy of this approach.     

Model spectral function and superconductivity in BaxK1−xBiO3 (x=0.5-0.7)

The Eliashberg spectral density function is constructed for the superconducting compound Ba_xK_1−xBiO₃ with x=0.5, 0.6, 0.7. The functions, besides yielding some prominent structures, show widely spreading spectra that inhibit lattice instability by yielding not too large values of λ(<1.32). The resulting spectral functions show similar shape as other results, where available, and also successfully reproduce the observed critical temperature, isotope exponent, gap ratio and several other parameters.     

Characterization and optimization of linearly tapered slot antenna pattern

A parametric study of linearly tapered slot antenna (LTSA) in air and a method for optimization of its pattern are presented. A method of moments code is utilized to investigate the behavior of LTSA’s as the length, height and the taper angle varies. It is shown that the antenna pattern can be improved using a top layer of dielectric material with varying permittivity.     

基于加载算法的室内无线信道OFDM接收机的性能

本文研究了无线局域网中使信号频谱得到优化的一种简单OFDM子载波加载算法。此算法基于边缘自适应（Margin Adaptive）加载准则及其在室内无线信道上的性能。     

The growth and characterization of AlGaAs double heterostructures for the evaluation of reactor and source quality

AlGaAs double heterostructures are grown by low-pressure metalorganic chemical vapor deposition to evaluate the level of oxygen contamination in different trimethylaluminum sources. Effects of arsine purifiers, misoriented substrates, atmospheric exposure of the growth chamber, and possible phosphorus contamination are also studied. Extensive characterization is performed on these films by a variety of methods, including high-resolution x-ray diffraction, photoluminescence (PL), time-resolved photoluminescence, and secondary-ion mass spectrometry. The PL intensities for structures grown with the low-alkoxide grade are reproducibly much greater than those grown with the regular-grade TMA1. The use of AsH₃ purification improves the PL intensity.     

Lithium insertion into YBa2Cu3O7

Atomistic computer simulation techniques are used to investigate the effects of lithium insertion into YBa₂Cu₃O₇. Attention is focused on various possible lattice sites occupied by the inserted lithium ions and pathways for their migration. The square-planar position in the Cu(2) layer is calculated to be the most energetically favorable. This is supported by the structural modeling of the ordered lithiated phase Li_0.33YBa₂Cu₃O₇. The calculated activation energies derived from migration profiles are in accord with experimental values and suggest fairly mobile lithium ions.