Related papers: Stability Engineering of Halide Perovskite via Mac…
Understanding epitaxial strain relaxation is one of the key challenges in functional thin films with strong structure-property relation. Herein, we employ an emerging data analytics approach to quantitatively evaluate the underlying…
Using finite-temperature phonon calculations and machine-learning methods, we calculate the mechanical stability of about 400 semiconducting oxides and fluorides with cubic perovskite structures at 0 K, 300 K and 1000 K. We find 92…
2D metal halide perovskites have enabled significant stability improvements in perovskite devices, particularly in resistance to moisture. However, some 2D perovskites are even more susceptible to photooxidation compared to 3D perovskites.…
Halide double perovskites (HDPs) have emerged as promising alternatives to their lead-based counterparts. However, their structural dynamics is less explored than that of conventional halide perovskites. In this work, we investigate…
Halide perovskite semiconductors respond to electric fields in a way that varies across time and length scales. We discuss the microscopic processes that give rise to the macroscopic polarization of these materials, ranging from the optical…
The discovery of stable, lead-free halide perovskites for optoelectronic applications is constrained by vast compositional space and limited interpretability of conventional screening approaches. We present a genome-guided, physics-informed…
Machine learning (ML) can facilitate efficient thermoelectric (TE) material discovery essential to address the environmental crisis. However, ML models often suffer from poor experimental generalizability despite high metrics. This study…
The more-than-6000 2D materials predicted thus far provide a huge combinatorial space for forming functional heterostructures with bulk materials, with potential applications in nanoelectronics, sensing, and energy conversion. In this work,…
We report the observation of a persistent spin texture (PST) in pseudo-2D hybrid perovskite, characterized by significant spin splitting strength on the order of \(3 \, \text{eV} \cdot \text{\AA}\). Using first-principles density functional…
Metal halide perovskites have emerged as an exciting class of materials for applications in solar energy harvesting, optical devices, catalysis, and other photophysical applications. Many of the exciting properties of halide perovskites are…
Layered lead halide A'2An-1PbnI3n+1 perovskites (2D LHPs) are attracting considerable attention as a more stable alternative with respect to APbI3 parent phases - a promising material for a new generation of solar cells. However, a critical…
With rapidly growing photoconversion efficiencies, hybrid perovskite solar cells have emerged as promising contenders for next generation, low-cost photovoltaic technologies. Yet, the presence of nanoscale defect clusters, that form during…
We report that device architecture engineering has a substantial impact on the reverse bias instability that has been reported as a critical issue in commercializing perovskite solar cells. We demonstrate breakdown voltages exceeding -15 V…
Solar energy is anticipated to be the most viable source of sustainable green energy. Perovskites have gained significant research attention in recent years as a solar energy harvesting material due to their desirable photovoltaic enabling…
Serpentines are layered hydrous magnesium silicates (MgO$\cdot$SiO$_2\cdot$H$_2$O) formed through serpentinization, a geochemical process that significantly alters the physical property of the mantle. They are hard to investigate…
It is highly desirable to search for promising two-dimensional (2D) monolayer materials for deep insight of 2D materials and applications. We use first-principles method to investigate tetragonal perovskite oxide monolayers as 2D materials.…
One of the most significant features of lead-halide perovskites are their ability to have comparably slow recombination despite the fact that these materials are mostly processed from solution at room temperature. The slow recombination…
Low-dimensional metal halide perovskites provide exciting opportunities to fabricate new semiconductor materials. Semiconductor technology relies on electronic heterojunctions, and cost-efficient and flexible approaches to realize…
Despite the youthfulness of hybrid halide perovskite solar cells, their efficiencies are currently comparable to commercial silicon and have surpassed quantum-dots solar cells. Yet, the scalability of these devices is a challenge due to…
Interpreting the impedance response of perovskite solar cells (PSC) is significantly more challenging than for most other photovoltaics. This is for a variety of reasons, of which the most significant are the mixed ionic-electronic…