KAIST develops AI-powered material design that lines up gas atoms in crystal-like lattices inside porous materials; tech aims to boost carbon capture and hydrogen storage
Kim Ji-hanKorea Advanced Institute of Science and TechnologyKAIST

KAIST develops AI-powered material design that lines up gas atoms in crystal-like lattices inside porous materials; tech aims to boost carbon capture and hydrogen storage

KAIST researchers have developed an AI-driven technology that arranges gas atoms in crystal-like lattices within porous materials, enhancing carbon capture and hydrogen storage. This breakthrough, led by Professor Kim Ji-han, utilizes metal-organic frameworks to create selective gas arrangements, potentially revolutionizing gas separation techniques.

mbiz.heraldcorp.com+1 source11 August 2026 · 10:43 UTC
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KAIST's innovative technology employs artificial intelligence to design materials that arrange gas atoms in a crystal-like lattice, enhancing efficiency in carbon capture and hydrogen storage. Led by Professor Kim Ji-han, the research team discovered a phenomenon termed a "gas lattice", where gas molecules align in a structured formation within porous materials.1

The team utilized metal-organic frameworks (MOFs) to trap gas molecules, identifying that under specific conditions, these frameworks act as molds, guiding gas atoms into fixed positions. Their findings, published in Nature Communications, reveal that xenon gas can form a body-centered cubic (BCC) lattice inside a cobalt-based structure known as Co-CAU-36.234568

In experiments, when xenon and krypton were introduced together, xenon formed an ordered shell while krypton settled in the center, demonstrating the potential for selective gas separation. The researchers aim to extend this technology to capture and store gases like carbon dioxide and hydrogen, paving the way for tailored materials for specific applications.

Kim emphasized, "This study is the first case of lining gas up like a crystal inside a porous material. We have moved past thinking only about how much gas a material can hold, and opened the possibility of designing the arrangement itself." Although the research is currently theoretical, it holds promise for future advancements in gas storage and separation technologies.

Key Insight
“The team verified the effect with xenon, which formed a body-centered cubic lattice inside a cobalt-based MOF called Co-CAU-36. When xenon and krypton were mixed, xenon formed a shell while krypton collected in the center, demonstrating selective separation.”
CuriousCats studied:
1
mbiz.heraldcorp.com
“South Korean researchers have developed a custom material design technology that more selectively captures carbon dioxide and stores hydrogen more efficiently.”
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2
ajupress.comajupress.com
“A South Korean research team has shown that gas atoms trapped inside a porous solid can be made to line up in a regular pattern, the way atoms line up in a crystal, instead of scattering wherever they land.”
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