What is it about?

Urgent need for alternative fuel due to fossil fuel limitations and environmental risks has put hydrogen in the spotlight. Hydrogen fuel is cost-effective, eco-friendly, and energy-dense, but storage is a challenge. Our research shows that adding zirconium to pentagraphene allows for safe and efficient storage of 11 hydrogen molecules, exceeding DOE's requirements with 14.8 wt% makes is one of the best hydrogen storage.

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Why is it important?

The urgent need to find an alternative fuel source to replace fossil fuels, driven by their inadequate reserves and environmental hazards, has led to hydrogen emerging as a promising candidate. With its cost-effectiveness, high energy density, and eco-friendly nature, hydrogen fuel systems offer a viable solution. However, the practical implementation of hydrogen fuel faces a significant challenge in efficient and safe storage. Conventional storage methods suffer from safety issues and additional costs. Meeting the standards set by the Department of Energy (DoE) of the United States, including minimum storage capacity and specific adsorption energy requirements, will be a key aspect of this investigation. The importance of this research lies in its potential to overcome the major hurdles in the practical implementation of hydrogen fuel. By leveraging the unique properties and interactions of Advanced Carbon-based Nanomaterials with hydrogen, this research aims to design and optimize materials that can store hydrogen with high capacity, stability, and durability at ambient conditions. The development of suitable materials for hydrogen storage will significantly enhance the performance and viability of hydrogen fuel cell devices, enabling their widespread adoption. Moreover, successful computational exploration will provide valuable insights into the design principles for future hydrogen storage materials, facilitating the transition to a sustainable and clean energy future. This research has the potential to contribute to the advancement of hydrogen storage technologies and address the pressing global need for clean and renewable energy sources.


this research aims to conduct a comprehensive computational exploration of hydrogen storage applications in Carbon-based Nanomaterial Penta-Graphene. Through advanced simulations and modelling techniques, we analysed the performance and potential of Zirconium decorated Pentagraphene for efficient and safe hydrogen storage. By addressing the existing challenges and limitations, this study intends to contribute to the development of practical and high-capacity hydrogen storage technologies, advancing us towards a sustainable and clean energy future. I really hope readers will find this article incredibly useful and intriguing!

Afsal S Shajahan
Bhabha Atomic Research Centre

Read the Original

This page is a summary of: A quest to high-capacity hydrogen storage in zirconium decorated pentagraphene: DFT perspectives, International Journal of Hydrogen Energy, October 2022, Elsevier, DOI: 10.1016/j.ijhydene.2022.08.172.
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