The Be atom doping: An effective way to improve the Li-atom adsorption in boron rich nanoflake of B24
Based on the density functional techniques, we have carried out the doping Be atom to the B<sub>24</sub> molecule, nBe@B<sub>24</sub> (n = 1 and 2), which follows through addition of the Li atom to the most stable nBe@B<sub>24</sub> (n = 1 and 2) molecules. The ca...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Science and Technologies Association
2018-09-01
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| Series: | Chemical Review and Letters |
| Subjects: | |
| Online Access: | http://www.chemrevlett.com/article_85213_45223cca1cfe61e58fabd0101aa3375b.pdf |