Titanium-decorated carbon nanotubes as a potential high-capacity hydrogen storage medium.
By Taner Yildirim, S. Ciraci. Physical Review Letters, 2005
860 citations recorded by the source corpus.
We report a first-principles study, which demonstrates that a single Ti atom coated on a single-walled nanotube (SWNT) binds up to four hydrogen molecules. The first H2 adsorption is dissociative with no energy barrier while the other three adsorptions are molecular with significantly elongated H-H bonds. At high Ti coverage we show that a SWNT can strongly adsorb up to 8 wt % hydrogen. These results advance our fundamental understanding of dissociative adsorption of hydrogen in nanostructures and suggest new routes to better storage and catalyst materials.
Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/f9d1723ecfe3e62895258b80b4d9786a3e5f6926
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In Atomic and Molecular Physics, and Optics
In Materials Chemistry
- V. Jai̇n
- Francesc Illas
- E. Beheshti
- Alireza Nojeh
- Peyman Servati
- Francesc Viñes
- Montserrat Manadé
- B. Kandasubramanian
Citations in the corpus
- Transition metal adatoms on graphene: A systematic density functional study (2015, background): “considerable interest in the fields of molecular sensing [14-16], hydrogen storage [17-19], transistors [20], catalysis [21-23], metal nanowire synthesis [24], and nanoelectronics [25].”