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Molecular hydrogen storage in Al-doped bulk graphite with wider layer distances |
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| Authors: | Z.M. Ao T.T. Tan S. Li Q. Jiang |
| Affiliation: | 1. Key Laboratory of Automobile Materials, Ministry of Education, and Department of Materials Science and Engineering, Jilin University, Changchun 130025, China;2. School of Materials Science and Engineering, The University of New South Wales, NSW 2052, Australia;1. Chemical Laboratory, CSIR – Central Leather Research Institute, Adyar, Chennai 600 020, India;2. Academy of Scientific and Innovative Research (AcSIR), Anusandhan Bhawan, 2 Rafi Marg, New Delhi 110 001, India;1. Laboratory of Condensed Matter and Interdisciplinary Sciences, Physics Department, Faculty of Sciences, Mohammed V University, Rabat, Morocco;2. Department of Physics, University of Central Florida, Orlando, FL, 32816, United States |
| Abstract: | Molecular hydrogen storage at room temperature in Al-doped bulk graphite with wider layer distances was studied using density functional theory calculation. Hydrogen storage capacity of 3.48 wt% or volume density of 51 kg/m3 was predicted at T=300 K and P=0.1 GPa with adsorption energy Eb=?0.264 eV/H2. This is close to the target of volume density 62 kg/m3 and satisfies the requirement of immobilization hydrogen with binding strength of 0.2–0.7 eV/H2 at ambient temperature and modest pressure for commercial applications specified by the U.S. Department of Energy. |
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