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Hydrogen adsorption on N-decorated single wall carbon nanotubes |
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| Authors: | Eduardo Rangel L.F. Magana J.S. Arellano |
| Affiliation: | a Instituto de Física, Universidad Nacional Autónoma de México, Apartado Postal 20-364, Código Postal 01000, México D.F., Mexico b Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México Ciudad Universitaria, Código Postal 04510, México D.F., Mexico c Departamento de Ciencias Básicas, Universidad Autónoma Metropolitana, Unidad Azcapotzalco. Avenida San Pablo No. 180, Col. Reynosa Tamaulipas Código Postal 02200, México D.F., Mexico |
| Abstract: | Using density functional theory and molecular dynamics we found that N-decorated single walled (8,0) carbon nanotubes are potential high capacity hydrogen storage media. This system could store up to 6.0 wt% hydrogen at 300 K and ambient pressure, with average adsorption energy of −80 meV/(H2). Nitrogen coverage was C8N. |
| Keywords: | 68.35.bd 68.43.Bc |
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