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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Authors:
Aritra Roy,
Kevin Shen,
Andrew MacBride,
Awwal Oladipupo,
Mudassra Taskeen,
Wojtek Treyde,
Ruaa A. E. A. Abakar,
Ahmad D. Abbas,
Elsayed Abdelfatah,
Abbas A. Abdullahi,
Seham S. Abyah,
Chahd Rahyl Adjmi,
Fariha Agbere,
Savyasanchi Aggarwal,
Muhammad Ahmed,
Tasnim Ahmed,
Motasem Ajlouni,
Mattias Akke,
Hussein AlAdwan,
Anwaar S. Alazani,
Zahra A. Alharbi,
Wajd A. Aljulyhi,
Mohammed A. AlKubaish,
Fatima A. Almahri,
Sayed A. Almohri
, et al. (328 additional authors not shown)
Abstract:
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categori…
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Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.
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Submitted 4 May, 2026;
originally announced May 2026.
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Mitigating the contact resistance limitation of cavitated fine line Ag paste by Laser-Enhanced Contact Optimization
Authors:
Donald Intal,
Abasifreke Ebong,
Vijay Upadhyaya,
Brian Rounsaville,
Ajeet Rohatgi,
Dana Hankey,
Marshall Tibbetts
Abstract:
Cavitation-assisted Ag paste is a promising route for fine-line, low-silver metallization in silicon solar cells because it improves paste dispersion, extends shelf life, and reduces Ag consumption, but matching the contact performance of commercial pastes remains a challenge. Here, cavitated paste was evaluated on PERC solar cells at peak firing temperatures of 720, 740, 750, and 762 C, with and…
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Cavitation-assisted Ag paste is a promising route for fine-line, low-silver metallization in silicon solar cells because it improves paste dispersion, extends shelf life, and reduces Ag consumption, but matching the contact performance of commercial pastes remains a challenge. Here, cavitated paste was evaluated on PERC solar cells at peak firing temperatures of 720, 740, 750, and 762 C, with and without laser-enhanced contact optimization (LECO). The results show a clear firing window: 720 and 740 °C produced high series resistance and reduced fill factor, 750 C gave the best pre-LECO performance, and 762 C showed additional electrical limitations with only limited LECO benefit. LECO selectively recovered the under-activated states, increasing fill factor from 76.8 to 80.2% at 720 C and from 76.7 to 79.8% at 740 C. Electroluminescence and conductive AFM further indicated improved current collection and stronger localized conduction after LECO. These results show that cavitated paste performance is governed primarily by a shifted contact-formation window, and that firing optimization combined with LECO provides a practical route to retain the fine-line advantage while improving electrical performance.
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Submitted 9 April, 2026;
originally announced April 2026.
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Laser-Enhanced Contact Optimization in Silicon Photovoltaics: Mechanisms, Reliability, and Predictive Process Design
Authors:
Donald Intal,
Abasifreke U. Ebong
Abstract:
Laser-enhanced contact optimization (LECO) has emerged as an important method for simultaneously reducing contact resistivity and metallization-induced recombination in advanced crystalline silicon solar cells, thereby enabling concurrent gains in fill factor and open-circuit voltage, particularly in TOPCon devices. However, broader industrial transferability remains constrained by the need to pre…
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Laser-enhanced contact optimization (LECO) has emerged as an important method for simultaneously reducing contact resistivity and metallization-induced recombination in advanced crystalline silicon solar cells, thereby enabling concurrent gains in fill factor and open-circuit voltage, particularly in TOPCon devices. However, broader industrial transferability remains constrained by the need to preserve these gains within a narrow process window and by unresolved, architecture-dependent questions regarding the kinetic stability of some LECO-modified interfaces. LECO is therefore examined in this review as a coupled multiphysics process that links localized electrothermal activation and microstructural evolution to device-level electrical signatures through an instantaneous regime map and a reliability classification based on time-dependent drift. A predictive workflow is outlined that couples transient electrothermal modeling with reduced state metrics, including effective diffusion depth and local areal energy density, and propagates calibrated thresholds across the recipe space. The framework separates stable optimization from marginal activation and latent damage, while explaining why fine-line scaling and copper-containing contact stacks can tighten stability margins through current localization and diffusion-barrier constraints. These insights provide a basis for reliability-aware process-window design and future digital-twin-assisted optimization of LECO for scalable, high-efficiency silicon photovoltaics.
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Submitted 15 May, 2026; v1 submitted 24 March, 2026;
originally announced March 2026.
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Neutralization of the impact of belt speed on screen printed copper metallization by LECO on PERC homogeneous emitter
Authors:
Abasifreke Ebong,
Donald Intal,
Sandra Huneycutt,
Ajeet Rohatgi,
Vijay Upadhyaya,
Sagnik Dasgupta,
Ruohan Zhong,
Thad Druffel,
Ruvini Dharmadasa
Abstract:
Copper fire-through metallization is a cost-effective alternative to Ag counterpart for industrial high efficiency solar cells. The fire through dielectric metallization relies on belt speed, which dictates the ramp up and ramp down rates for effective contact formation. In this paper three belt speeds (325oC, 360oC, 390oC) at constant peak firing temperature, were used to process PERC (homogeneou…
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Copper fire-through metallization is a cost-effective alternative to Ag counterpart for industrial high efficiency solar cells. The fire through dielectric metallization relies on belt speed, which dictates the ramp up and ramp down rates for effective contact formation. In this paper three belt speeds (325oC, 360oC, 390oC) at constant peak firing temperature, were used to process PERC (homogeneous emitter) cells. After the contact firing the electrical parameters were dependent on belt speed, but after LECO treatment, they were identical. The SEM/EDS cross sectional analyses showed increased elemental Cu with belt speed, and the series resistance was lowest for the middle belt speed before LECO. However, after the LECO treatment, the series resistance dropped, respectively, to 0.503 ohm-cm-2, 0.428 ohm-cm-2 and 0.500 ohm-cm-2 leading to efficiency of 20.8% on homogeneous PERC emitter.
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Submitted 24 March, 2026; v1 submitted 20 March, 2026;
originally announced March 2026.
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Critical look at the atmospheric Cu fire-through dielectric metallization for cost-effective and high efficiency silicon solar cells
Authors:
Donald Intal,
Sandra Huneycutt,
Abasifreke Ebong,
Ajeet Rohatgi,
Vijay Upadhyaya,
Sagnik Dasgupta,
Ruohan Zhong,
Thad Druffel,
Ruvini Dharmadasa
Abstract:
The formation of stable copper-silicide (Cu3Si) interfaces is crucial for cost-effective, high-efficiency solar cells. However, copper's diffusivity and electromigration issues pose challenges for contact stability. This study employs Laser-Enhanced Contact Optimization (LECO) to induce localized nano-scale Joule heating at the Cu-Si interface in phosphorus-doped p-PERC solar cells. High-resolutio…
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The formation of stable copper-silicide (Cu3Si) interfaces is crucial for cost-effective, high-efficiency solar cells. However, copper's diffusivity and electromigration issues pose challenges for contact stability. This study employs Laser-Enhanced Contact Optimization (LECO) to induce localized nano-scale Joule heating at the Cu-Si interface in phosphorus-doped p-PERC solar cells. High-resolution STEM and bright field analyses confirm stable Cu3Si formation in LECO-treated samples, with significantly reduced material segregation compared to nonLECO samples. SEM and post-etch EDS mapping demonstrate improved chemical resistance and interface cleanliness. Electrically, LECO treatmenet reduces series resistance by a factor 3, enhancing fill factor and efficiency while preserving diode quality. These results highlight LECO as a scalable method for reliable, silver-free solar cell metallization.
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Submitted 20 March, 2026;
originally announced March 2026.