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.     

Application of Hilbert＇s Projective Metric on Symmetric Cones

Let Ω be a symmetric cone. In this note, we introduce Hilbert＇s projective metric on Ω in terms of Jordan algebras and we apply it to prove that, given a linear invertible transformation g such that g（Ω） = Ω and a real number p, ｜p｜ 〉 1, there exists a unique element x ∈ Ω satisfying g（x） = x^p.     

Finite element modal solutions of planar photonic crystal fibers with rectangular air-holes

Modal solutions of planar photonic crystal waveguides with rectangular air-holes are presented by using a rigorous full-vectorial finite element-based approach. The effective indices, mode field profiles, spot-sizes, power confinements, modal hybridness, beat lengths and group velocity dispersions are shown for the fundamental and higher order modes of the quasi-TE and TM polarizations.     

Selected action density to speed up the computation of the nonlinear wave-wave interactions

This paper deals with the development of a numerical method to study the non-linear wave-wave interactions in oceans. Based on works from Webb-Tracy-Resio, the Hasselmann’s non-linear mathematical model is reviewed numerically. With this theory and the selection of action density domain, a program to reduce time of computation has been developed. Results from new computation are displayed graphically and compared with previous program. This work augments our understanding better about the non-linear process of wave-wave interactions and it improves the numerical computations to obtain efficiency in operational forecast.     

Accumulation of uranium by filamentous green algae under natural environmental conditions

The capacity of algae to concentrate uranium under natural environmental conditions is measured by a-spectrometry. Spirogyra, a filamentous green fresh-water alga, has concentrated uranium from a surface concrete ponds with elevated uranium levels (140-1140 ppb). The concentration factors (CFs) ranged from 8.9-67 with an average value of 22.Cladophora spp, a filamentous green marine alga has concentrated uranium from the marine water with a concentration factor ranged from 220–280. The average concentration factor was 250. The factors affecting the sorption process are discussed in detail. This revised version was published online in July 2006 with corrections to the Cover Date.     

Synthesis and characterization of isotopically enriched methylmercury (CH3201Hg+)

A simple procedure for the synthesis of an important standard, isotopically enriched methylmercury, which is not commercially available, has been established successfully. The isotopically enriched standard synthesized is utilized in conventional isotope dilution mass spectrometry (IDMS), as well as in speciated IDMS (SIDMS), for determination of the true concentration of methylmercury in environmental samples. The CH₃²⁰¹Hg⁺ standard has been synthesized from commercially available ²⁰¹HgO and tetramethyltin. The synthesis time required is 1 h at 60°C. The product is highly pure, yielding more than 90% as ²⁰¹Hg in CH₃²⁰¹Hg⁺. Hazardous dimethylmercury does not occur during this synthesis procedure. The product synthesized was analyzed using high‐performance liquid chromatography coupled with inductively coupled plasma mass spectrometry (ICP‐MS) and ICP‐MS alone in order to determine its concentration, isotopic composition and purity. The stability of the product was also evaluated for over 6 months and found to be stable at 4°C in the dark. The isotopically enriched methylmercury synthesized can be used in SIDMS and IDMS analyses as a standard. Copyright © 2003 John Wiley & Sons, Ltd.     

Dynamics of Random One-Dimensional ±J Systems

Finite chains of a two-state random Potts spin model with periodic boundary conditions are studied within Glauber dynamics. The spin exchange is assumed random with frustration between ferro and antiferromagnetic values (±J). Time-dependent fluctuations are induced by periodic temperature oscillations. Master type differential equations for spin correlation functions are solved within linear response theory. The spectrum of relaxation times are calculated at different temperatures. The ±J Potts glass chains undergo a zero temperature phase transition. The barriers against inversion of the spin chain take only two values; 0 and 2|J|. The temperature behaviour of specific heat is characterized by rounded peaks. The frequency dependence displays two plateaus for the real part of specific heat and two corresponding peaks for the imaginary part. The dynamic specific heat is not affected by the longest relaxing mode like susceptibility. The time separation of the modes is demonstrated by the Cole-Cole plots.