相关论文: ABO3 Perovskites' Formability Prediction and Cryst…
Chalcogenide perovskites are an emerging class of photovoltaic absorbers offering stable, lead-free structures and promising optoelectronic properties. To date, the literature on chalcogenide perovskites has focused primarily on fully…
The performance of perovskite solar cells recently exceeded 15% solar-to-electricity conversion efficiency for small-area devices. The fundamental properties of the active absorber layers, hybrid organic-inorganic perovskites formed from…
Organic-inorganic halide perovskite solar cells have recently attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. The reduction from three- to two-dimension (2D) promises an…
Prediction of the electronic structure of functional materials is essential for the engineering of new devices. Conventional electronic structure prediction methods based on density functional theory (DFT) suffer from not only high…
One of the most viable renewable energies is solar power because of its versatility, reliability, and abundance. In the market, a majority of the solar panels are made from silicon wafers. These solar panels have an efficiency of 26.4…
Predicting degradation rates is an important task in the development of new perovskite solar cells (PSCs). In this paper, we explore the feasibility of solving this problem using Machine Learning models supported by LLM tools. We consider…
The ideality factor determined by measuring the open circuit voltage (VOC) as function of light intensity is often used as a means to identify the dominant recombination mechanism in solar cells. However, applying this Suns-VOC technique to…
Perovskite oxides containing transition metals are promising materials in a wide range of electronic and electrochemical applications. However, neither their work function values nor an understanding of their work function physics have been…
Organic semiconductors are promising materials for cheap, scalable and sustainable electronics, light-emitting diodes and photovoltaics. For organic photovoltaic cells, it is a challenge to find compounds with suitable properties in the…
We optimize the deposition of CH3NH3PbI3 perovskite into mesoporous electrodes consisting of anodic TiO2 nanotube layers. By a simple spin coating approach, complete filling of the tube scaffolds is obtained, that leads to interdigitated…
Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…
Organic photovoltaic (OPV) materials offer a promising path toward sustainable energy generation, but their development is limited by the difficulty of identifying high performance donor and acceptor pairs with strong power conversion…
By performing spatially resolved Raman and photoluminescence spectroscopy with varying excitation wavelength, density, and data acquisition parameters, we have achieved a unified understanding towards the spectroscopy signatures of the…
The rapid growth of the solar energy industry has produced a strong demand for high performance, efficient photoelectric materials. Many ferroelectrics, composed of earth-abundant elements, are useful for solar cell applications due to…
Using first-principles methods, we predict the energy landscape and ferroelectric states of double perovskites of the form AA$'$BB$'$O$_6$ in which the atoms on both the A and B sites are arranged in rock-salt order. While we are not aware…
It is thought that growing large, oriented grains of perovskite can lead to more efficient devices. We study MAPbI3 films fabricated via Flash Infrared Annealing (FIRA) consisting of highly oriented, large grains. Domains observed in the…
Determining the finite temperature structure of the hybrid perovskite MAPbI3 is a challenge for both experimental and theoretical methods. A very powerful computational method that can resolve the atomic structure is molecular dynamics…
Instability of hybrid organic-inorganic halide perovskites hinders their development for photovoltaic applications. First-principle calculations are used for evaluation of a decomposition reaction enthalpy of hybrid halide perovskites,…
The significant surge in energy use and escalating environmental concerns have sparked worldwide interest towards the study and implementation of solar cell technology. Perovskite solar cells (PSCs) have garnered remarkable attention as an…
The increasing global demand for clean and environmentally friendly energy resources has caused increased interest in harnessing solar power through photovoltaic (PV) systems for smart grids and homes. However, the inherent unpredictability…