发表机构
University of Birmingham; Technical University of Denmark（伯明翰大学; 丹麦技术大学）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本文介绍Solphin，一个用于体材料光伏效率分析的Python包，基于密度泛函理论计算，提供品质因数、细致平衡和光谱限制最大效率等分析方法，旨在提高评估材料光伏潜力的效率和可重复性。
AI 中文摘要
在光伏材料的发展中，计算模拟已成为减少探索新材料时间和成本的重要工具，并通过增加基础理解提供有助于提高效率的见解。我们介绍了Solphin，一个用于从周期性固态密度泛函理论生成、后处理和分析光伏计算的Python包。我们包含了计算光伏品质因数、细致平衡和光谱限制最大效率的能力，以及其他分析方法。Solphin旨在以高效且用户友好的方式提高评估材料光伏潜力的可访问性、可重复性和简便性。
英文摘要
In the development of photovoltaic materials, computational simulation has become a important tool for reducing the time and cost of exploring novel materials, as well as providing insights that help drive improvements in efficiency through increasing fundamental understanding. We present Solphin, a Python package for the generation, post-processing and analysis of photovoltaic calculations from periodic solid state Density Functional Theory. We include the ability to calculate the photovoltaic Figure of Merit, detailed balance and spectroscopic limited maximum efficiency, alongside other analysis methods. Solphin has been built to improve the access, reproducibility and ease of evaluating the photovoltaic potential of a material in an efficient and user-friendly manner.
Comments4 pages, 1 figure, for the associated code, see https://github.com/SMTG-Bham/solphin
