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Machine learning enables rapid estimation of material parameters in solar cells via neural-network-based surrogate models. However, the reliability of extracted parameters depends on underlying assumptions such as the choice of…

Materials Science · Physics 2026-02-11 Eunchi Kim , Thomas Kirchartz

In pursuit of an all-inorganic non-toxic perovskite solar cell (PSC) with enhanced performance, we have investigated the rhombohedral phase of the germanium-based rubidium halide perovskites RbGeX$_3$ (X = Cl, Br, I). The structural…

Materials Science · Physics 2025-05-15 Piyush Kumar Dash , Palash Banarjee , Anupriya Nyayban , Subhasis Panda

We present a novel analytical model for analysing the spectral photoluminescence quantum yield of non-planar semiconductor thin films. This model considers the escape probability of luminescence and is applied to triple-cation perovskite…

Semiconductor device models are essential to understand the charge transport in thin film transistors (TFTs). Using these TFT models to draw inference involves estimating parameters used to fit to the experimental data. These experimental…

Machine Learning · Computer Science 2021-11-29 Neel Chatterjee , Somya Sharma , Sarah Swisher , Snigdhansu Chatterjee

Lead iodide perovskites have attracted considerable interest in the upcoming photovoltaic technologies and optoelectronic devices. Therefore, an accurate theoretical description of the electronic and optical properties especially to…

Materials Science · Physics 2022-01-20 Pooja Basera , Arunima Singh , Deepika Gill , Saswata Bhattacharya

Physico-chemical continuum battery models are typically parameterized by manual fits, relying on the individual expertise of researchers. In this article, we introduce a computer algorithm that directly utilizes the experience of battery…

Data Analysis, Statistics and Probability · Physics 2023-02-08 Yannick Kuhn , Hannes Wolf , Arnulf Latz , Birger Horstmann

Halide perovskites have been extensively studied as materials of interest for optoelectronic applications. There is a major emphasis on ways to tailor the stability, defect behavior, electronic band structure, and optical absorption in…

Materials Science · Physics 2023-09-29 Jiaqi Yang , Arun Mannodi-Kanakkithodi

The last five years have witnessed a remarkable progress in the field of lead halide perovskite materials and devices. Examining the existing body of literature reveals staggering inconsistencies in the reported results among different…

A new material characterization technique is emerging for the transmission electron microscope (TEM). Using electron energy-loss spectroscopy, real space mappings of the underlying electronic transitions in the sample, so called orbital…

Materials Science · Physics 2023-05-26 Manuel Ederer , Stefan Löffler

For opto-electronic and photo-voltaic applications of perovskites, it is essential to know the optical properties and intrinsic losses of the used materials. A systematic microscopic analysis is presented for the example of methylammonium…

Materials Science · Physics 2018-10-29 Lars C. Bannow , Jörg Hader , Jerome V. Moloney , Stephan W. Koch

We present a unified framework to derive fundamental stellar parameters by combining all available observational and theoretical information for a star. The algorithm relies on the method of Bayesian inference, which for the first time…

Solar and Stellar Astrophysics · Physics 2015-06-18 Ralph Schönrich , Maria Bergemann

Procedural material models have been gaining traction in many applications thanks to their flexibility, compactness, and easy editability. We explore the inverse rendering problem of procedural material parameter estimation from…

Graphics · Computer Science 2025-04-22 Yu Guo , Milos Hasan , Lingqi Yan , Shuang Zhao

Optimizing solution-processed organic solar cells is a complex task due to the vast parameter space in organic photovoltaics (OPV). Classical Edisonian or one-variable-at-a-time (OVAT) optimization approaches are laborious, time-consuming,…

Halide perovskites have emerged as promising candidates for high-performance solar cells. This study investigates the temperature-dependent optoelectronic properties of mixed-cation mixed-halide perovskite solar cells using…

Lead-halide perovskites have demonstrated astonishing increases in power conversion efficiency in photovoltaics over the last decade. The most efficient perovskite devices now outperform industry-standard multi-crystalline silicon solar…

Applied Physics · Physics 2023-02-20 Yi-Teng Huang , Sean R. Kavanagh , David O. Scanlon , Aron Walsh , Robert L. Z. Hoye

I propose a general quantitative framework to evaluate the quality, track the historical development, and guide future optimization of photovoltaic (PV) absorbers at any development level, including both experimentally synthesized and…

Materials Science · Physics 2024-04-24 Andrea Crovetto

We present a new method aimed at improving the efficiency of component by component ionization modeling of intervening quasar absorption line systems. We carry out cloud-by-cloud, multiphase modeling making use of CLOUDY and Bayesian…

Machine learning has emerged as a promising approach for estimating material parameters in solar cells. Traditional methods for parameter extraction often rely on time-consuming numerical simulations that fail to capture the full complexity…

Materials Science · Physics 2025-06-17 Eunchi Kim , Paula Hartnagel , Barbara Urbano , Leonard Christen , Thomas Kirchartz

In perovskite solar cells, photovoltaic action is created by charge transport layers (CTLs) either side of the light-absorbing metal halide perovskite semiconductor. Hence, the rates for desirable charge extraction and unwanted interfacial…

The ability to reduce energy loss at semiconductor surfaces through passivation or surface field engineering has become an essential step in the manufacturing of efficient photovoltaic (PV) and optoelectronic devices. Similarly, surface…