Al-doped B80 fullerene as a suitable candidate for H2, CH4, and CO2 adsorption for clean energy applications
Dispersion-corrected density functional theory method was performed to report on a high-performance adsorbent for removal of CO2 from the precombustion and natural gases. At first, the effect of Al atom impurity on the structural and electronic properties of B80 fullerene is studied. Then, the adsor...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2018-01-01
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| Series: | Journal of Saudi Chemical Society |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1319610317300820 |