| Title | A reversible switch for hydrogen adsorption and desorption: electric fields. | | Author(s) | Liu W, Zhao YH, Li Y, Lavernia EJ, Jiang Q | | Institution | Key Laboratory of Automobile Materials, Ministry of Education, and School of Materials Science and Engineering, Jilin University, Changchun, 130022, China. jiangq@jlu.edu.cn. | | Source | Phys Chem Chem Phys 2009 Oct 28; 11(40):9233-40. | | Abstract | Implementation of hydrogen storage systems requires moderate bonding strength. However, this goal has remained a challenge, either due to the weak physisorption or extremely strong chemisorption. Here, we report on a new phenomenon, namely that H(2) binding can be externally enhanced (or weakened) via superimposition of a positive (or negative) electric field. We demonstrate this concept using an 8-Li-doped carbon nanotube. The calculated adsorption energy E(ad) = -0.58 eV/H(2) under F = +0.010 au is 93.33% lower than that under 0.000 au (F indicates the field intensity). This is because the positive field produces an extra dipole moment. In contrast, E(ad) increases from -0.30 to -0.20 eV/H(2) when F = -0.010 au. In view of the fact that storage systems are insensitive to small unexpected field fluctuations, the application of the electric field as a reversible switch makes practical sense. | | Language | eng | | Pub Type(s) | Journal Article
| | PubMed ID | 19812844 |
|
