Agentic Robotic Boxes for Perovskite Solar Cell Fabrication with Recipe Language Model

Zijian Chen , Wenjin Yu , Chuang Wu , Feibei Chen , Zixuan Wang , Chao Zhou , Yimeng You , Shaojie Li , Qiyuan Zhu , Ning Ma , Yao Sun , Donghui Li , Billy Fanady , Shengchou Jiang , Zhongliang Yan , Shumin Zhou , Liang Li , Chang-Yu Hsieh , Yang Bai , Lixin Xiao , Chi-yung Chung , Ching-chuen Chan , Zhanfeng Cui , Michael Grätzel , Haitao Zhao

Engineering ›› : 202604002

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Engineering ›› :202604002 DOI: 10.1016/j.eng.2026.04.002
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Agentic Robotic Boxes for Perovskite Solar Cell Fabrication with Recipe Language Model
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Abstract

Perovskite solar cells (PSCs) have been undergoing rapid development with the vast combinatorial explo- ration of recipes; however, the related research suffers from time-consuming trial-and-error synthesis and labor-intensive fabrication. As a promising alternative, interconnected robotic boxes that integrate fabrication and characterization enable high-throughput experimentation and data collection; however, the resulting numerical datasets are often insufficiently analyzed and fail to provide effective feedback for semantic recipe optimization. Here, we conceived and realized an emerging scientific tool of robotic boxes enabled by a domain-specific recipe language model (RLM) and a coordinating language agent for PSCs research. The developed agent features two loops of seven artificial intelligence (AI) layers, in which both numerical and semantic recipes were continuously learned and optimized from the literature and robotic corpora for iterative fine-tuning of the RLM. Guided by the agent, 11 robotic boxes executed the controllable synthesis, fabrication, and characterization of 50 764 PSCs, increasing the power conver- sion efficiency (PCE) to 27.0% (26.5% certified). Simultaneously, more than 578 million tokens were gen- erated and augmented to improve the ability to recommend a recipe and mechanistic reasoning, achieving an overall score of about 80% based on the dedicated evaluation criteria. Thus, such agentic robotic boxes provide an advanced tool for the next-generation synthesis, fabrication, characterization, and even mechanistic reasoning of PSCs and beyond.

Keywords

Robotics / Language agent / Recipe language model / Materials intelligence / Perovskite solar cells / Device fabrication

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Zijian Chen, Wenjin Yu, Chuang Wu, Feibei Chen, Zixuan Wang, Chao Zhou, Yimeng You, Shaojie Li, Qiyuan Zhu, Ning Ma, Yao Sun, Donghui Li, Billy Fanady, Shengchou Jiang, Zhongliang Yan, Shumin Zhou, Liang Li, Chang-Yu Hsieh, Yang Bai, Lixin Xiao, Chi-yung Chung, Ching-chuen Chan, Zhanfeng Cui, Michael Grätzel, Haitao Zhao. Agentic Robotic Boxes for Perovskite Solar Cell Fabrication with Recipe Language Model. Engineering 202604002 DOI:10.1016/j.eng.2026.04.002

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References

[1]

National Laboratory of the Rockies. Best research—cell efficiency chart. Golden: National Laboratory of the Rockies; 2026.

[2]

Jacobsson TJ , Hultqvist A , García—Fernández A , Anand A , Al—Ashouri A , Hagfeldt A , et al. An open—access database and analysis tool for perovskite solar cells based on the FAIR data principles. Nat Energy 2022; 7(1):107-15.

[3]

Zhang H , Pfeifer L , Zakeeruddin SM , Chu J , Grätzel M . Tailoring passivators for highly efficient and stable perovskite solar cells. Nat Rev Chem 2023; 7(9):632-52.

[4]

Tian W , Wang R , Yang D , Xue J . Organic A—cations in metal halide perovskite photovoltaics. Nat Rev Chem 2026; 10(1):50-71.

[5]

Maqsood A , Näsström H , Chen C , Qiutong L , Luo J , Chakraborty R , et al. Towards an interoperable perovskite description or how to keep track of 300 perovskite ions. Nat Commun 2025; 16:8725.

[6]

Zou Y , Yu W , Qu B , Chen Z , Wei M , Xiao L . Ambient fabrication of perovskites for photovoltaics. Nat Rev Mater 2025; 10(6):400—2.

[7]

Yang C , Hu W , Liu J , Han C , Gao Q , Mei A , et al. Achievements, challenges, and future prospects for industrialization of perovskite solar cells. Light Sci Appl 2024; 13(1):227.

[8]

Bai Y , Huang Z , Zhang X , Lu J , Niu X , He Z , et al. Initializing film homogeneity to retard phase segregation for stable perovskite solar cells. Science 2022; 378(6621):747-54.

[9]

Li S , Jiang Y , Xu J , Wang D , Ding Z , Zhu T , et al. High—efficiency and thermally stable FACsPbI3 perovskite photovoltaics. Nature 2024; 635(8037):82-8.

[10]

Zhang X , Chen Z , Chen F , Fanady B , Wang B , Ni Z , et al. Material intelligence by the convergence of artificial intelligence and robotic platforms. Nexus 2025; 2(3):100083.

[11]

Burger B , Maffettone PM , Gusev VV , Aitchison CM , Bai Y , Wang X , et al. A mobile robotic chemist. Nature 2020; 583(7815):237—41.

[12]

Dai T , Vijayakrishnan S , Szczypin´ ski FT, Ayme JF , Simaei E , Fellowes T , et al. Autonomous mobile robots for exploratory synthetic chemistry. Nature 2024; 635(8040):890-7.

[13]

Zhao H , Chen W , Huang H , Sun Z , Chen Z , Wu L , et al. A robotic platform for the synthesis of colloidal nanocrystals. Nat Synth 2023; 2(6):505-14.

[14]

Zhang Z , Ren Z , Hsu CW , Chen W , Hong ZW , Lee CF , et al. A multimodal robotic platform for multi—element electrocatalyst discovery. Nature 2025; 647(8089):390-6.

[15]

Angelone D , Hammer AJS , Rohrbach S , Krambeck S , Granda JM , Wolf J , et al. Convergence of multiple synthetic paradigms in a universally programmable chemical synthesis machine. Nat Chem 2021; 13(1):63-9.

[16]

Steiner S , Wolf J , Glatzel S , Andreou A , Granda JM , Keenan G , et al. Organic synthesis in a modular robotic system driven by a chemical programming language. Science 2019; 363(6423):eaav2211.

[17]

Angello NH , Rathore V , Beker W , Wołos A , Jira ER , Roszak R , et al. Closed—loop optimization of general reaction conditions for heteroaryl Suzuki—Miyaura coupling. Science 2022; 378(6618):399-405.

[18]

Manzano JS , Hou W , Zalesskiy SS , Frei P , Wang H , Kitson PJ , et al. An autonomous portable platform for universal chemical synthesis. Nat Chem 2022; 14(11):1311-8.

[19]

Rohrbach S , Šiaucˇiulis M , Chisholm G , Pirvan PA , Saleeb M , Mehr SHM , et al. Digitization and validation of a chemical synthesis literature database in the ChemPU. Science 2022; 377(6602):172-80.

[20]

Wu T , Kheiri S , Hickman RJ , Tao H , Wu TC , Yang ZB , et al. Self—driving lab for the photochemical synthesis of plasmonic nanoparticles with targeted structural and optical properties. Nat Commun 2025; 16:1473.

[21]

Zhang J , Wu J , Zhao Y , Zou Y , Barabash A , Wu Z , et al. Revealing the crystallization and thermal—induced phase evolution in aromatic—based quasi—2D perovskites using a robot—based platform. ACS Energy Lett 2023;8(8):3595-603.

[22]

Higgins K , Valleti SM , Ziatdinov M , Kalinin SV , Ahmadi M . Chemical robotics enabled exploration of stability in multicomponent lead halide perovskites via machine learning. ACS Energy Lett 2020; 5(11):3426-36.

[23]

Zhao Y , Zhang J , Xu Z , Sun S , Langner S , Hartono NTP , et al. Discovery of temperature—induced stability reversal in perovskites using high—throughput robotic learning. Nat Commun 2021; 12:2191.

[24]

Higgins K , Ziatdinov M , Kalinin SV , Ahmadi M . High—throughput study of antisolvents on the stability of multicomponent metal halide perovskites through robotics—based synthesis and machine learning approaches. J Am Chem Soc 2021; 143(47):19945-55.

[25]

Gu E , Tang X , Langner S , Duchstein P , Zhao Y , Levchuk I , et al. Robot—based high—throughput screening of antisolvents for lead halide perovskites. Joule 2020; 4(8):1806-22.

[26]

Wu J , Torresi L , Hu M , Reiser P , Zhang J , Rocha—Ortiz JS , et al. Inverse design workflow discovers hole—transport materials tailored for perovskite solar cells. Science 2024; 386(6727):1256-64.

[27]

Wu J , Zhang J , Hu M , Reiser P , Torresi L , Friederich P , et al. Integrated system built for small—molecule semiconductors via high—throughput approaches. J Am Chem Soc 2023; 145(30):16517-25.

[28]

Xu J , Chen H , Grater L , Liu C , Yang Y , Teale S , et al. Anion optimization for bifunctional surface passivation in perovskite solar cells. Nat Mater 2023; 22(12):1507-14.

[29]

Deng C , Tang L , Luo P , Li H , Yang L , Liu Z , et al. Unveiling the statistical behaviors of metal—halide perovskites from films to devices through a high—throughput experimental platform. InfoMat 2026; 8(1):e70039.

[30]

Meftahi N , Surmiak MA , Fürer SO , Rietwyk KJ , Lu J , Raga SR , et al. Machine learning enhanced high—throughput fabrication and optimization of quasi—2D Ruddlesden—Popper perovskite solar cells. Adv Energy Mater 2023; 13(38):2203859.

[31]

Wang Y , Perea—Puente S , Le Corre VM , Wu Z , Sytnyk M , These A , et al. Hybrid learning enables reproducible >24% efficiency in autonomously fabricated perovskites solar cells. Adv Energy Mater 2026; 16(4):e04340.

[32]

Zhang J , Liu B , Liu Z , Wu J , Arnold S , Shi H , et al. Optimizing perovskite thin—film parameter spaces with machine learning—guided robotic platform for high—performance perovskite solar cells. Adv Energy Mater 2023; 13(48):2302594.

[33]

Tom G , Schmid SP , Baird SG , Cao Y , Darvish K , Hao H , et al. Self—driving laboratories for chemistry and materials science. Chem Rev 2024; 124(16):9633-732.

[34]

Romera—Paredes B , Barekatain M , Novikov A , Balog M , Kumar MP , Dupont E , et al. Mathematical discoveries from program search with large language models. Nature 2024; 625(7995):468-75.

[35]

Yuksekgonul M , Bianchi F , Boen J , Liu S , Lu P , Huang Z , et al. Optimizing generative AI by backpropagating language model feedback. Nature 2025; 639(8055):609-16.

[36]

Zhao W , Wu C , Fan Y , Qiu P , Zhang X , Sun Y , et al. An agentic system for rare disease diagnosis with traceable reasoning. Nature 2026; 651(8106):775-84.

[37]

Boiko DA , MacKnight R , Kline B , Gomes G . Autonomous chemical research with large language models. Nature 2023; 624(7992):570-8.

[38]

Vaucher AC , Zipoli F , Geluykens J , Nair VH , Schwaller P , Laino T . Automated extraction of chemical synthesis actions from experimental procedures. Nat Commun 2020; 11:3601.

[39]

Vaucher AC , Schwaller P , Geluykens J , Nair VH , Iuliano A , Laino T . Inferring experimental procedures from text—based representations of chemical reactions. Nat Commun 2021; 12:2573.

[40]

Hu E , Shen Y , Wallis P , Allen—Zhu Z , Li Y , Wang S , et al. LoRA: low—rank adaptation of large language models. In: Proceedings of the 10th international conference on learning representations, 2022 Apr 25—29, online conference; 2022.

[41]

Rafailov R , Sharma A , Mitchell E , Ermon S , Manning CD , Finn C . Direct preference optimization: your language model is secretly a reward model. In: Proceedings of the 37th conference on neural information processing systems, 2023 Dec 10—16, New Orleans, LA, USA. Red Hook: Curran Associates, Inc.; 2023. p. 53728—41.

[42]

Jiang W , Qu G , Huang X , Chen X , Chi L , Wang T , et al. Toughened self—assembled monolayers for durable perovskite solar cells. Nature 2025; 646(8083):95-101.

[43]

Zhang C , Park NG . Materials and methods for cost—effective fabrication of perovskite photovoltaic devices. Commun Mater 2024; 5(1):194.

[44]

Kim DH , Muzzillo CP , Tong J , Palmstrom AF , Larson BW , Choi C , et al. Bimolecular additives improve wide—band—gap perovskites for efficient tandem solar cells with CIGS. Joule 2019; 3(7):1734-45.

[45]

Park J , Kim J , Yun HS , Paik MJ , Noh E , Mun HJ , et al. Controlled growth of perovskite layers with volatile alkylammonium chlorides. Nature 2023; 616(7958):724—30.

[46]

Du S , Huang H , Lan Z , Cui P , Li L , Wang M , et al. Inhibiting perovskite decomposition by a creeper—inspired strategy enables efficient and stable perovskite solar cells. Nat Commun 2024; 15:5223.

[47]

Li Z , Sun X , Zheng X , Li B , Gao D , Zhang S , et al. Stabilized hole—selective layer for high—performance inverted p—i—n perovskite solar cells. Science 2023; 382(6668):284—9.

[48]

Tan Q , Li Z , Luo G , Zhang X , Che B , Chen G , et al. Inverted perovskite solar cells using dimethylacridine—based dopants. Nature 2023; 620(7974):545—51.

[49]

Jiang Q , Zhao Y , Zhang X , Yang X , Chen Y , Chu Z , et al. Surface passivation of perovskite film for efficient solar cells. Nat Photonics 2019; 13(7):460—6.

[50]

Zhu C , Niu X , Fu Y , Li N , Hu C , Chen Y , et al. Strain engineering in perovskite solar cells and its impacts on carrier dynamics. Nat Commun 2019; 10:815.

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