Structural disorder in higher-temperature phases increases charge carrier lifetimes in metal halide perovskites
R Shi, Q Fang, AS Vasenko, R Long… - Journal of the …, 2022 - ACS Publications
Solar cells and optoelectronic devices are exposed to heat that degrades performance.
Therefore, elucidating temperature-dependent charge carrier dynamics is essential for …
Therefore, elucidating temperature-dependent charge carrier dynamics is essential for …
Rapid interlayer charge separation and extended carrier lifetimes due to spontaneous symmetry breaking in organic and mixed organic–inorganic Dion–Jacobson …
R Shi, R Long, WH Fang… - Journal of the American …, 2023 - ACS Publications
Promising alternatives to three-dimensional perovskites, two-dimensional (2D) layered
metal halide perovskites have proven their potential in optoelectronic applications due to …
metal halide perovskites have proven their potential in optoelectronic applications due to …
Fluctuations at Metal Halide Perovskite Grain Boundaries Create Transient Trap States: Machine Learning Assisted Ab Initio Analysis
All-inorganic perovskites are promising candidates for solar energy and optoelectronic
applications, despite their polycrystalline nature with a large density of grain boundaries …
applications, despite their polycrystalline nature with a large density of grain boundaries …
The twist angle has weak influence on charge separation and strong influence on recombination in the MoS 2/WS 2 bilayer: ab initio quantum dynamics
Van der Waals heterojunctions of two-dimensional transition-metal dichalcogenides are
intensely investigated for multiple optoelectronics applications. Strong and adjustable …
intensely investigated for multiple optoelectronics applications. Strong and adjustable …
Grain boundary sliding and distortion on a nanosecond timescale induce trap states in CsPbBr 3: ab initio investigation with machine learning force field
Grain boundaries (GBs) in perovskite solar cells and optoelectronic devices are widely
regarded as detrimental defects that accelerate charge and energy losses through …
regarded as detrimental defects that accelerate charge and energy losses through …
Electron-volt fluctuation of defect levels in metal halide perovskites on a 100 ps time scale
Metal halide perovskites (MHPs) have gained considerable attention due to their excellent
optoelectronic performance, which is often attributed to unusual defect properties. We …
optoelectronic performance, which is often attributed to unusual defect properties. We …
Strategies for Optimizing the Morphology of CsSnI3 Perovskite Solar Cells
M Zhang, K Chen, Y Wei, W Hu, Z Cai, J Zhu, Q Ye… - Crystals, 2023 - mdpi.com
Over the past decade, organic–inorganic hybrid perovskite solar cells (PVSCs) have shown
unprecedented growth in power conversion efficiency (PCE) from 3.8% to 25.7%. However …
unprecedented growth in power conversion efficiency (PCE) from 3.8% to 25.7%. However …
Self-passivation of Halide Interstitial Defects by Organic Cations in Hybrid Lead-Halide Perovskites: Ab Initio Quantum Dynamics
X Ma, X Tian, E Stippell, OV Prezhdo… - Journal of the …, 2024 - ACS Publications
Halide interstitial defects severely hinder the optoelectronic performance of metal halide
perovskites, making research on their passivation crucial. We demonstrate, using ab initio …
perovskites, making research on their passivation crucial. We demonstrate, using ab initio …
Ag–Bi Charge Redistribution Creates Deep Traps in Defective Cs2AgBiBr6: Machine Learning Analysis of Density Functional Theory
Lead-free double perovskites hold promise for stable and environmentally benign solar
cells; however, they exhibit low efficiencies because defects act as charge recombination …
cells; however, they exhibit low efficiencies because defects act as charge recombination …
Efficient Modeling of Quantum Dynamics of Charge Carriers in Materials Using Short Nonequilibrium Molecular Dynamics
Nonadiabatic molecular dynamics provides essential insights into excited-state processes,
but it is computationally intense and simplifications are needed. The classical path …
but it is computationally intense and simplifications are needed. The classical path …