Hybrid modeling of perovskite light-emitting diodes with nanostructured emissive layers.

Perovskite light-emitting diodes (PeLEDs) have attracted much attention due to their superior performance. When a bottleneck of energy conversion efficiency is achieved with materials engineering, nanostructure incorporation proves to be a feasible approach to further improve device efficiencies via light extraction enhancement. The finite-difference time-domain simulation is widely used for optical analysis of nanostructured optoelectronic devices, but reliable modeling of PeLEDs with nanostructured emissive layers remains unmet due to the difficulty of locating dipole light sources. Herein we established a hybrid process for modeling light emission behaviors of such nanostructured PeLEDs by calibrating light source distribution through electrical simulations. This hybrid modeling method serves as a universal tool for structure optimization of light-emitting diodes with nanostructured emissive layers.

In Situ Construction of Spinel Coating on the Surface of a Lithium-Rich Manganese-Based Single Crystal for Inhibiting Voltage Fade.

Layered lithium-rich transition-metal oxides (LRMs) have been considered as the most promising next-generation cathode materials for lithium-ion batteries. However, capacity fading, poor rate performance, and large voltage decays during cycles hinder their commercial application. Herein, a spinel membrane (SM) was first in situ constructed on the surface of the octahedral single crystal Li1.22Mn0.55Ni0.115Co0.115O2 (O-LRM) to form the O-LRM@SM composite with superior structural stability. The synergetic effects between the single crystal and spinel membrane are the origins of the enhancement of performance. On the one hand, the single crystal avoids the generation of inactive Li2MnO3-like phase domains, which is the main reason for capacity fading. On the other hand, the spinel membrane not only prevents the side reactions between the electrolyte and cathode materials but also increases the diffusion kinetics of lithium ions and inhibits the phase transformation on the electrode surface. Based on the beneficial structure, the O-LRM@SM electrode delivers a high discharge specific capacity and energy density (245.6 mA h g-1 and 852.1 W h kg-1 at 0.5 C), low voltage decay (0.38 V for 200 cycle), excellent rate performance, and cycle stability.