Zhang Jiyun, Hauch Jens A, Brabec Christoph J
Forschungszentrum Juelich GmbH, Helmholtz-Institute Erlangen-Nürnberg (HI ERN), Department of High Throughput Methods in Photovoltaics, Immerwahrstraße 2, 91058 Erlangen, Germany.
Friedrich-Alexander-University Erlangen-Nuremberg, Faculty of Engineering, Department of Material Science, Institute of Materials for Electronics and Energy Technology (i-MEET), Martensstrasse 7, 91058 Erlangen, Germany.
Acc Chem Res. 2024 May 7;57(9):1434-1445. doi: 10.1021/acs.accounts.4c00095. Epub 2024 Apr 23.
ConspectusIn the ever-increasing renewable-energy demand scenario, developing new photovoltaic technologies is important, even in the presence of established terawatt-scale silicon technology. Emerging photovoltaic technologies play a crucial role in diversifying material flows while expanding the photovoltaic product portfolio, thus enhancing security and competitiveness within the solar industry. They also serve as a valuable backup for silicon photovoltaic, providing resilience to the overall energy infrastructure. However, the development of functional solar materials poses intricate multiobjective optimization challenges in a large multidimensional composition and parameter space, in some cases with millions of potential candidates to be explored. Solving it necessitates reproducible, user-independent laboratory work and intelligent preselection of innovative experimental methods.Materials acceleration platforms (MAPs) seamlessly integrate robotic materials synthesis and characterization with AI-driven data analysis and experimental design, positioning them as enabling technologies for the discovery and exploration of new materials. They are proposed to revolutionize materials development away from the Edisonian trial-and-error approaches to ultrashort cycles of experiments with exceptional precision, generating a reliable and highly qualitative data situation that allows training machine learning algorithms with predictive power. MAPs are designed to assist the researcher in multidimensional aspects of materials discovery, such as material synthesis, precursor preparation, sample processing and characterization, and data analysis, and are drawing escalating attention in the field of energy materials. Device acceleration platforms (DAPs), however, are designed to optimize functional films and layer stacks. Unlike MAPs, which focus on material discovery, a central aspect of DAPs is the identification and refinement of ideal processing conditions for a predetermined set of materials. Such platforms prove especially invaluable when dealing with "disordered semiconductors," which depend heavily on the processing parameters that ultimately define the functional properties and functionality of thin film layers. By facilitating the fine-tuning of processing conditions, DAPs contribute significantly to the advancement and optimization of disordered semiconductor devices, such as emerging photovoltaics.In this Account, we review the recent advancements made by our group in automated and autonomous laboratories for advanced material discovery and device optimization with a strong focus on emerging photovoltaics, such as solution-processing perovskite solar cells and organic photovoltaics. We first introduce two MAPs and two DAPs developed in-house: a microwave-assisted high-throughput synthesis platform for the discovery of organic interface materials, a multipurpose robot-based pipetting platform for the synthesis of new semiconductors and the characterization of thin film semiconductor composites, the SPINBOT system, which is a spin-coating DAP with the potential to optimize complex device architectures, and finally, AMANDA, a fully integrated and autonomously operating DAP. Notably, we underscore the utilization of a robot-based high-throughput experimentation technique to address the common optimization challenges encountered in extensive multidimensional composition and parameter spaces pertaining to organic and perovskite photovoltaics materials. Finally, we briefly propose a holistic concept and technology, a self-driven autonomous material and device acceleration platform (AMADAP) laboratory, for autonomous functional solar materials discovery and development. We hope to discover how AMADAP can be further strengthened and universalized with advancing development of hardware and software infrastructures in the future.
概述
在可再生能源需求不断增长的情况下,即便已有兆瓦级规模的成熟硅技术,开发新的光伏技术依然十分重要。新兴光伏技术在使材料流多样化的同时,扩充了光伏产品组合,从而提升了太阳能产业的安全性和竞争力,还为硅基光伏提供了重要的备用方案,增强了整个能源基础设施的韧性。然而,功能性太阳能材料的开发在庞大的多维成分和参数空间中带来了复杂的多目标优化挑战,在某些情况下,有数百万种潜在材料可供探索。解决这一问题需要可重复、不受用户影响的实验室工作以及对创新实验方法进行智能预选。
材料加速平台(MAPs)将机器人材料合成与表征与人工智能驱动的数据分析和实验设计无缝整合,使其成为发现和探索新材料的使能技术。它们旨在彻底改变材料开发方式,摒弃爱迪生式的反复试验方法,转向具有超高精度的超短实验周期,生成可靠且高质量的数据情况,以便训练具有预测能力的机器学习算法。MAPs旨在在材料发现的多个维度上协助研究人员,如材料合成、前驱体制备、样品处理与表征以及数据分析,在能源材料领域正受到越来越多的关注。而器件加速平台(DAPs)则旨在优化功能薄膜和层叠结构。与专注于材料发现 的MAPs不同,DAPs的一个核心方面是为一组预定材料确定并优化理想的加工条件。在处理“无序半导体”时,这类平台尤为重要,因为无序半导体很大程度上依赖于最终决定薄膜层功能特性和功能的加工参数。通过促进加工条件的微调,DAPs对无序半导体器件(如新兴光伏器件)的进步和优化做出了重大贡献。
在本综述中,我们回顾了我们团队在先进材料发现和器件优化的自动化和自主实验室方面取得的最新进展,重点关注新兴光伏技术,如溶液处理钙钛矿太阳能电池和有机光伏。我们首先介绍我们内部开发的两个MAPs和两个DAPs:一个用于发现有机界面材料的微波辅助高通量合成平台、一个用于合成新型半导体和表征薄膜半导体复合材料的基于机器人的多功能移液平台、具有优化复杂器件架构潜力的旋涂DAP——SPINBOT系统,以及最后一个完全集成且自主运行的DAP——AMANDA。值得注意的是,我们强调利用基于机器人的高通量实验技术来应对在有机和钙钛矿光伏材料广泛的多维成分和参数空间中遇到的常见优化挑战。最后,我们简要提出了一个整体概念和技术——一个用于自主功能太阳能材料发现和开发的自驱动自主材料和器件加速平台(AMADAP)实验室。我们希望探索随着未来硬件和软件基础设施 的不断发展,AMADAP如何能得到进一步加强和普及。