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Li and Na Co-decorated carbon nitride nanotubes as promising new hydrogen storage media |
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| Authors: | Yu Sheng Wang Meng LiFei Wang Qiang SunYu Jia |
| Affiliation: | a Center of Clean Energy and Quantum Structures, and School of Physics and Engineering, Zhengzhou University, Zhengzhou, Henan, 450052, China b College of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou, Henan, 450011, China |
| Abstract: | The capacity of Li and Na co-decorated carbon nitride nanotube (CNNT) for hydrogen storage is studied using first-principles density functional theory. The results show that with two H2 molecules attached to per Li and four H2 molecules per Na the Li and Na co-decorated CNNT gains a gravimetric density of H2 as high as 9.09 wt% via electrostatic interaction without the clustering of the deposited metal atoms (at T=0 K). The average adsorption energy of hydrogen molecule is in the range of 0.09-0.22 eV/H2, which is suitable for practical hydrogen storage at ambient temperatures. |
| Keywords: | Hydrogen storage Nanotube Binding energy |
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