TY - JOUR
T1 - Aluminum hydride coated single-walled carbon nanotube as a hydrogen storage medium
AU - Iyakutti, K.
AU - Kawazoe, Y.
AU - Rajarajeswari, M.
AU - Surya, V. J.
N1 - Funding Information:
One of us (K.I.) gratefully acknowledge the kind hospitality at the Institute for Materials Research. He thanks Dr. P. Murugan, Scientist, CECRI, Karaikudi; Dr. N.S. Venkat, Dr. Suvitha and Dr. M. Arivu of IMR for their scientific and personal contributions to the visit. We thank Mr. Note and the staff of the Centre for Computational Materials Science at IMR for making the Hitachi SR11000 supercomputer available. University Grants Commission is acknowledged with thanks for the Project with JRF, under UPE. This work is also funded by Asian Office of Aerospace Research and Development Project grant no. AOARD-08-4017.
PY - 2009/1
Y1 - 2009/1
N2 - We report a first principle study on the hydrogen storage in Aluminum hydride (AlH3) coated (5, 5) single-walled carbon nanotube (SWCNT). Our study indicates that a SWCNT coated with Aluminum hydride (Alane - AlH3) can bind up to four hydrogen molecules. At half coverage of AlH3, the hydrogen storage capacity of the SWCNT is 8.3 wt%. The system with full coverage is also studied and it is found that, even though the hydrogen storage capacity increases, the binding of H2 is weak. All the H2 adsorption is molecular with H-H bond length of 0.756 Å. Our result on a full molecular adsorption of hydrogen via light metal hydride is new and it leads to a practically viable storage process.
AB - We report a first principle study on the hydrogen storage in Aluminum hydride (AlH3) coated (5, 5) single-walled carbon nanotube (SWCNT). Our study indicates that a SWCNT coated with Aluminum hydride (Alane - AlH3) can bind up to four hydrogen molecules. At half coverage of AlH3, the hydrogen storage capacity of the SWCNT is 8.3 wt%. The system with full coverage is also studied and it is found that, even though the hydrogen storage capacity increases, the binding of H2 is weak. All the H2 adsorption is molecular with H-H bond length of 0.756 Å. Our result on a full molecular adsorption of hydrogen via light metal hydride is new and it leads to a practically viable storage process.
KW - Aluminum hydride
KW - Binding energy
KW - Carbon nanotube (CNT)
KW - Hydrogen storage material (HSM)
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U2 - 10.1016/j.ijhydene.2008.09.086
DO - 10.1016/j.ijhydene.2008.09.086
M3 - Article
AN - SCOPUS:57949102369
SN - 0360-3199
VL - 34
SP - 370
EP - 375
JO - International Journal of Hydrogen Energy
JF - International Journal of Hydrogen Energy
IS - 1
ER -
