Functional Groups Assisted Tunable Dielectric Permittivity of Guest-Free Zn-Based Coordination Polymers for Gate Dielectrics

The dielectric properties of coordination polymers has been a topic of recent interest, but the role of different functional groups on the dielectric properties of these polymers has not yet been fully addressed. Herein, the effects of electron-donating (R=NH₂) and electron-withdrawing (R=NO₂) groups on the dielectric behavior of such materials were investigated for two thermally stable and guest-free Zn-based coordination polymers, [Zn(L₁)(L₂)]_n ( 1 ) and [Zn(L₁)(L₃)]_n ( 2 ) [L₁=2-(2-pyridyl) benzimidazole (Pbim), L₂=5-aminoisophthalate (Aip), and L₃=5-nitroisophthalate (Nip)]. The results of dielectric studies of 1 revealed that it possesses a high dielectric constant (κ=65.5 at 1 kHz), while compound 2 displayed an even higher dielectric constant (κ=110.3 at 1 kHz). The electron donating and withdrawing effects of the NH₂ and NO₂ substituents induce changes in the polarity of the polymers, which is due to the inductive effect from the aryl ring for both NO₂ and NH₂. Theoretical results from density functional theory (DFT) calculations, which also support the experimental findings, show that both compounds have a distinct electronic behavior with diverse wide bandgaps. The significance of the current work is to provide information about the structure-dielectric property relationships. So, this study promises to pave the way for further research on the effects of different functional groups on coordination polymers on their dielectric properties.     

The impact of monocity and hybridity of nanostructures on the thermal performance of Maxwellian thin-film flow with memory and Darcy–Forchheirmer effects

Journal of Thermal Analysis and Calorimetry - This article considers viscoelastic effects on the enhancement of transportation of heat in thin-film flow when the relaxation time phenomenon is...     

GLOBAL WELL-POSEDNESS FOR FRACTIONAL NAVIER-STOKES EQUATIONS IN VARIABLE EXPONENT FOURIER-BESOV-MORREY SPACES

In this paper we study the Cauchy problem of the incompressible fractional Navier-Stokes equations in critical variable exponent Fourier-Besov-Morrey space F N^s(·)p(·),h(·),q(R³)with s(·)=4-2α-3/p(·).We prove global well-posedness result with small initial data belonging to FN^4-2α-3/p(·)p(·),h(·)q(R³).The result of this paper extends some recent work.     

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.     

The matrix equation AX-YB=C and related problems

The main result of the paper is a theorem, using which a new proof of Roth’s theorem is obtained, a new solvability criterion for the matrix equation AX-YB = C is proved, a formula for a particular solution of the latter is derived, and the least of the orders of square nonsingular matrices containing a given rectangular matrix as a submatrix is determined. Bibliography: 5 titles. __________ Translated from Zapiski Nauchnykh Seminarov POMI, Vol. 323, 2005, pp. 15–23.     

Tensile behaviour of corroded and hydrogen embrittled 2024 T351 aluminum alloy specimen

The synergetic effect of corrosion and corrosion induced hydrogen embrittlement damage processes which occur at local scale has been found to result in a dramatic macroscopic tensile ductility loss of the 2024 aluminum alloy. In the present work, the tensile behaviour of corroded 2024 T351 specimens has been estimated on the basis of FE analysis by taking into account the local material properties in the damaged areas. A parametric study is involved to account for the effect of thickness in the results. Calculated tensile properties obtained with the analysis agree well with experimental data.