General Information
    • ISSN: 1793-821X
    • Frequency: Quarterly (2013-2014); Bimonthly (Since 2015)
    • DOI: 10.18178/JOCET
    • Editor-in-Chief: Prof. Haider F. Abdul Amir
    • Executive Editor: Ms. Jennifer Zeng
    • Abstracting/ Indexing: EI (INSPEC, IET), Electronic Journals Library, Chemical Abstracts Services (CAS), Ulrich's Periodicals Directory, Google Scholar, ProQuest.
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School of Science and Technology Universiti Malaysia Sabah, Malaysia.
I would like to express my appreciation to all authors, reviewers and edtors.
JOCET 2015 Vol.3(2): 132-134 ISSN: 1793-821X
DOI: 10.7763/JOCET.2015.V3.182

Enhancement of Hidrogen Physisorption Energy by Lithium-doped Carbon Nanotube: A First Principle Study

Ir. Nasruddin, Engkos Achmad Kosasih, Supriyadi, Ihsan Ahmad Zulkarnain
Abstract—Hydrogen fuel-cell is potential future energy carrier to be implemented on vehicle. However, one of the main problems of its implementation is about how to store Hydrogen in high density at ambient temperature and acceptable pressure. One of the promising storage methods is adsorption on Carbon nanostructured material, one of them is Carbon Nanotube (CNT). However, CNT is still too weak to adsorb Hydrogen gas in ambient temperature. Therefore, many researches have been conducted to find ways to improve Hydrogen physisorption energy on CNT. One of the ways is by doping Lithium cation into CNT. Lithium-cation is expected able to effect electrochemical properties of CNT so that Hydrogen physisorption energy is enhanced. In this study, we performed ab-initio calculations to investigate effect of Lithium-doping on CNT to its Hydrogen physisorption energy. Our research result shows that Lithium-doped CNT have stronger physisorption energy, up to -4.2 kcal/mol, compared to undoped CNT, only -1.2 kcal/mol.

Index Terms—Hydrogen storage, CNT, Lithium, Ab initio.

Ir. Nasruddin is with the Department of Mechanical Engineering Faculty of Engineering University of Indonesia (e-mail:


Cite:Ir. Nasruddin, Engkos Achmad Kosasih, Supriyadi, Ihsan Ahmad Zulkarnain, "Enhancement of Hidrogen Physisorption Energy by Lithium-doped Carbon Nanotube: A First Principle Study," Journal of Clean Energy Technologies vol. 3, no. 2, pp. 132-134, 2015.

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