A multiscale ion diffusion framework sheds light on the diffusion-stability-hysteresis nexus in metal halide perovskites.

Stability and current-voltage hysteresis stand as major obstacles to the commercialization of metal halide perovskites. Both phenomena have been associated with ion migration, with anecdotal evidence that stable devices yield low hysteresis. However, the underlying mechanisms of the complex stability-hysteresis link remain elusive. Here we present a multiscale diffusion framework that describes vacancy-mediated halide diffusion in polycrystalline metal halide perovskites, differentiating fast grain boundary diffusivity from volume diffusivity that is two to four orders of magnitude slower. Our results reveal an inverse relationship between the activation energies of grain boundary and volume diffusions, such that stable metal halide perovskites exhibiting smaller volume diffusivities are associated with larger grain boundary diffusivities and reduced hysteresis. The elucidation of multiscale halide diffusion in metal halide perovskites reveals complex inner couplings between ion migration in the volume of grains versus grain boundaries, which in turn can predict the stability and hysteresis of metal halide perovskites, providing a clearer path to addressing the outstanding challenges of the field.

Understanding charge carrier dynamics in a P3HT:FLR blend.

In organic semiconductors, optical absorption is pivotal for the performance of optoelectronic devices. The absorption by the semiconductors generates excitons which dissociate into free charge carriers, resulting in energy conversion. Although high performance has been achieved in non-fullerene organic solar cells, their charge generation behavior is far from being well understood. Keeping this in view, we have employed optical spectroscopic tools to study the charge generation mechanism in FLR (1,6,7,10-tetramethylfluoranthene) as a non-fullerene electron acceptor blended with P3HT (poly(3-hexylthiophene)) as an electron donor in five different solvents. Through steady state UV-visible and photoluminescence spectroscopy, we provide a basic understanding of charge transport by enlightening the influence of solvents on the aggregation behavior and exciton bandwidth. Furthermore, for the first time, by employing ultrafast vis-NIR transient absorption spectroscopy, we address the ultrafast charge generation and charge separation mechanism with systematic variation in solvent polarity by incorporating the time evolution of the transient species under various pump-probe wavelengths in the range of 450 nm to 1600 nm. For the different excitation wavelengths, the lifetime kinetics have been depicted by their multiexponential fits. The results show a fast decay term at a lifetime of a few picoseconds (ps) (∼1 to 5 ps) and a slow decay term at a lifetime of ∼500 ps. The charge generation in the P3HT:FLR blend proceeds on a ps time scale, which implies good intermixing of the components. It is clearly established that the non-halogenated solvents influence this aggregation behavior and higher conjugation lengths with higher photoluminescence quenching contribute to the higher charge generation. The enhanced polaron population in P3HT with the addition of FLR illustrates the importance of this acceptor material in the blend because a good solvent-material combination is essential to enhance the charge generation. As such, this comprehensive study explicitly shows the role of FLR as an emerging efficient non-fullerene acceptor for further improving the performance of devices.

Investigating the influence of charge transport on the performance of PTB7:PC71BM based organic solar cells.

A key challenge for researchers in the field of organic solar cells (OSCs) is to develop a physical model for a device that correctly describes the charge carrier transport phenomenon. In this article, an analytical study on the charge carrier transport phenomenon in an OSC is reported, which expresses a balance between free charge carrier generation and recombination in low mobility PTB7:PC71BM blend layers. First, the current density-voltage (J-V) data for the fabricated OSC were extracted from experiments by varying the incident power light intensity (IPL) and then analysis through theoretical simulation was used to quantify the dominant interface recombination parameters limiting the device's performance. It was found that although the generation of free charge carriers increased at higher IPL values, the performance of the device remained low due to poor electrical transport properties which resulted in a considerable accumulation of generated charge carriers in the active layer. Therefore, it has become important to work out the complex relation between charge carrier mobility, exciton-recombination dynamics and the overall electrical performance parameters in a single framework. This article explains the influence of incident power light intensity and charge carrier mobility on performance parameters, which limits the power conversion efficiency (PCE) of the OSC. The presented analysis could be helpful in optimizing the architecture of future devices to increase the PCE of OSCs.

Revealing the correlation between charge carrier recombination and extraction in an organic solar cell under varying illumination intensity.

The design and fabrication of better excitonic solar cells are the need of the hour for futuristic energy solutions. This designing needs a better understanding of the charge transport properties of excitonic solar cells. One of the popular methods of understanding the charge transport properties is the analysis of the J-V characteristics of a device through theoretical simulation at varied illumination intensity. Herein, a J-V characteristic of a polymer:fullerene based bulk heterojunction (BHJ) organic solar cells (OSCs) of structure ITO/PEDOT:PSS (∼40 nm)/PTB7:PC71BM (∼100 nm)/Al (∼120 nm) is analyzed using one- and two-diode models at varied illumination intensity in the range of 0.1-2.33 Sun. It was found that the double diode model is better with respect to the single diode model and can explain the J-V characteristics of the OSCs correctly. Further, the recombination mechanism is investigated thoroughly and it was observed that fill factor (FF) is in the range of 62.5%-41.4% for the corresponding values of the recombination-to-extraction ratio (θ) varying from 0.001 to 0.023. These findings are attributed to the change in charge transport mechanism from trap-assisted to bimolecular recombination with the variation of illumination intensity.

Neuroanatomical correlation of behavioral deficits in the CCI model of TBI.

Traumatic brain injury (TBI) is the leading cause of death and disability both in combat and civilian situations with limited treatment options including surgical removal of hematoma, ventricular drainage and use of hyperosmotic agents that restrict secondary injury following TBI. Availability of appropriate model system with full-range characterization of anatomical and behavioral components correlative with brain injury provides a pre-clinical platform to test candidate therapies for clinical translation. Modeling of TBI using controlled cortical impact injury (CCI) is largely considered to be close to clinical TBI and hence CCI models have been widely used in pre-clinical TBI research. Most studies reported so far using CCI models were presented with a limited behavioral characterization and lacked its correlation with the signature histopathology of TBI. Current investigation validated a detailed sensomotor and cognitive behavioral characterization correlative with diffuse axonal injury-the signature histopathology of TBI, in the CCI mouse model of TBI. Present study offers a comprehensively characterized model of TBI that can be used to investigate cellular and molecular mechanisms underlying TBI and to test candidate therapies in developing novel and effective treatments for TBI.