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Materials Science MEGA Webinar
MARCH 7 & 8, 2023

Scientific software is a core need in today's virtual and physical Materials Science research and development. Whether capturing your scientific method or simulating your virtual experiments, the IT and Informatics capabilities are critical to your immediate and future successes. 

Applicable Materials Science Domains

  • Polymers 

  • Formulations 

  • CASE (coatings, adhesives, sealants, elastomers) 

  • Nanoparticles 

  • Alternative proteins (alternative meat industry) 

  • Lithium-ion batteries 

  • Biomaterials 

  • Design and Manufacturing 

  • Electronic Materials 

  • Energy Materials 

  • Metals and Ceramics 

  • Nanomaterials 

  • Polymeric Materials 

  • Surface Science 


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Platinum Sponsors

GOLD Sponsors

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silver Sponsors

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speaker agenda

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Nikolay Fateev

Head of Implementation




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Scott Simpson, PhD

Assoc. Professor of Chemistry



The Molecular Corking Effect to Store Hydrogen



Hydrogen is a versatile, energy-dense gas that can be used as an alternative to fossil fuels in many applications, including transportation and power generation. However, widespread adoption of hydrogen fuels is limited, in part, by the inability to safely store and transport hydrogen gas outside of carefully controlled industrial environments. This project will study an intriguing chemical phenomenon called the "molecular corking effect," which may prove useful as a hydrogen gas storage mechanism. The molecular corking effect has been observed when hydrogen gas (diatomic hydrogen or H2) interacts with a class of materials called single-atom alloys. Single-atom alloys consist of a relatively inert noble metal surface interspersed with single atoms of catalytically-active metals such as platinum and palladium. When diatomic hydrogen gas contacts the single-atom alloy, the bond between the two hydrogen atoms is broken by the catalytically-active metal. The individual hydrogen atoms then spill over on the inert metal surface. A "cork" molecule that preferentially binds to the catalytically-active metal can be added to prevent the hydrogen atoms from reforming gaseous hydrogen. Hydrogen can be safely stored in this manner until the temperature is increased to remove the cork molecule and release the hydrogen gas from the surface. Fundamental insights into the entire molecular corking process must be developed to fully realize the potential of single-atom alloy hydrogen storage. The research objectives of this project will examine how molecular corks interact with single-atom alloys and describe the chemical characteristics of effective molecular corks.

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