The fixation probability and time for a doubly beneficial mutant

For a highly beneficial mutant $A$ entering a randomly reproducing population of constant size, we study the situation when a second beneficial mutant $B$ arises before $A$ has fixed. If the selection coefficient of $B$ is greater than the selection coefficient of $A$, and if $A$ and $B$ can recombine at some rate $\rho$, there is a chance that the double beneficial mutant $AB$ forms and eventually fixes. We give a convergence result for the fixation probability of $AB$ and its fixation time for large selection coefficients.     

Spontaneous and stimulated emission in InAsSb-based LED heterostructures

Electroluminescence of LED heterostructures with active layer made of InAsSb films grown on InAs substrates was studied in the temperature range T = 4.2–300 K. At low temperatures (T = 4.2–100 K), stimulated emission was observed with an optical cavity formed normal to the growth plane. The emission became spontaneous at higher temperatures due to the resonant “switch-on” of the CHHS Auger recombination process in which the energy of a recombining electron-hole pair is transferred to a hole transitioning to the spin-orbit-splitted band. The spontaneous character of emission continued up to room temperature because of the influence of other Auger processes. The results obtained suggest that InAsSb-based LED heterostructures are promising for the fabrication of vertically-emitting mid-infrared lasers.     

A physics-based analytical model for bulk heterojunction organic solar cells incorporating monomolecular recombination mechanism

We present an analytical model for bulk heterojunction organic solar cells incorporating the physics of recombination in the transport equations. Monomolecular recombination process is considered to be the dominant mechanism and treated explicitly. The proposed analytical model shows good agreement with the experimental data as well as with the numerical simulations. The improvements over the previous models are also presented to show the importance of considering the recombination process. The model can be used to find device characteristics such as current–voltage characteristic, efficiency etc. of bulk heterojunction organic solar cells avoiding the mathematical complexities of numerical models.     

Numerical simulation of the modulation transfer function in planar InGaAs dense arrays

Three-dimensional simulation methodology has been used to evaluate the performance of lattice matched InGaAs/InP double layer planar heterointerface detector arrays. The device characteristics under optical illumination and dark conditions have been computed. The modulation transfer function (MTF) profiles have been calculated with varying device geometries and carrier dynamics. It is found that the p well diffusion radius and minority carrier recombination play important roles in the MTF behaviors of dense arrays. Moderate p well diffusion dimension should be used to balance the device performances between the dark current and MTF profile. Moreover, better MTF characteristic under low light condition can be achieved with higher quality material which has longer recombination lifetime. The influences of underlying mechanisms including photon generated carriers diffusion and carrier recombination processes have been discussed. These simulation methods and results should provide a useful tool for the evaluation and improvement of imaging power of InGaAs focal plane arrays.     

Charge Localization Induced by Reorientation of FA Cations Greatly Suppresses Nonradiative Electron-Hole Recombination in FAPbl3 Perovskites: a Time-Domain Ab Initio Study

Recent experiments report the rotation of FA (FA = HC[NH₂]₂\begin{document}$ ^+ $\end{document}) cations significantly influence the excited-state lifetime of FAPbI₃. However, the underlying mechanism remains unclear. Using ab initio nonadiabatic (NA) molecular dynamics combined with time-domain density functional simulations, we have demonstrated that reorientation of partial FA cations significantly inhibits nonradiative electron-hole recombination with respect to the pristine FAPbI₃ due to the decreased NA coupling by localizing electron and hole in different positions and the suppressed atomic motions. Slow nuclear motions simultaneously increase the decoherence time, which is overcome by the reduced NA coupling, extending electron-hole recombination time scales to several nanoseconds and being about 3.9 times longer than that in pristine FAPbI₃, which occurs within sub-nanosecond and agrees with experiment. Our study established the mechanism for the experimentally reported prolonged excited-state lifetime, providing a rational strategy for design of high performance of perovskite solar cells and optoelectronic devices.     

Interface configuration effects on excitation,exciton dissociation,and charge recombination in organic photovoltaic heterojunction

The morphology of donor-acceptor heterojunction interface significantly affects the electron/hole processes in organic solar cells, including charge transfer (CT), exciton dissociation (ED), and charge recombination (CR). Here, to investigate interface molecular configuration effects, the donor-acceptor complexes with face-on, edge-on, and end-on configurations were constructed as model systems for the p-SIDT(FBTTh₂)₂/C₆₀ heterojunction. The geometries, electronic structures, and excitation properties of monomers and the complexes with three configurations were studied based on density functional theory (DFT) and time-dependent DFT calculations with optimally tuned range separation parameters and solid polarization effects. In terms of Marcus theory, the rate constants of ED and CR processes were analyzed. The results show that most of the excited states for p-SIDT(FBTTh₂)₂ exhibit an intramolecular CT character, and the similarity of the excitation characters (CT and local excitation) and energies among three complexes with different configurations indicate that the electronic structure and excitation properties are insensitive to the interfacial molecular configurations. However, the rates of ED and CR processes heavily depend on it. These results underline the importance of controlling molecular configuration and then the morphology at the heterojunction interface in organic solar cells.     

三苯胺染料在钴电解质电池中的光伏性能

合成了4种己氧基取代的三苯胺类有机染料,制备了钴电解质的染料敏化太阳能电池,研究了染料的共轭桥结构对电池的光电压和光电流的影响．结果表明,以噻吩环为共轭桥的有机染料在钴电解质的染料敏化太阳能电池中表现良好的光伏性能,在100 mW/cm²太阳光照射下,获得6.1％的光电转换效率．同时研究了染料的构效关系．     

A Note on the Mechanism of Vacancy Production in Ultra-High-Speed deformation

Various possible and conceivable mechanisms of vacancy production in crystal during rapid deformation are considered, in attempt to explain how a large number of vacancy clusters can be produced with or without existence of dislocations during ultra-high-speed deformation of crystalline materials and to determine whether or not vacancy formation alone can effect deformation. Theoretical discussions mainly address the geometrical aspect of vacancy production, and are, therefore, neither quantitative in nature nor conclusive. Nevertheless, in connection with the present note, the author wishes to emphasize the importance of vacancy production in ultra-high-speed deformation of materials.