Hydrogen storage capacity of Ti-doped boron-nitride andB∕Be-substituted carbon nanotubes
نویسندگان
چکیده
منابع مشابه
Growing Carbon Nanotubes within Boron Nitride Nanotubes
The controlled synthesis and growth of carbon nanotubes (CNTs) has been a long standing challenge in the fabrication of carbon based materials for electronic applications. Due to the sensitivity to small changes in their structure, the successful integration of CNTs on electronic devices is conditioned to the preservation of the graphitic network of single and multiwalled nanotubes from externa...
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Hydrogen storage capacities have been studied on newly designed three-dimensional pillared boron nitride (PBN) and pillared graphene boron nitride (PGBN). We propose these novel materials based on the covalent connection of BNNTs and graphene sheets, which enhance the surface and free volume for storage within the nanomaterial and increase the gravimetric and volumetric hydrogen uptake capaciti...
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Adsorption of hydrogen molecules on platinum-doped single-walled zigzag (8,0) boron nitride (BN) nanotube is investigated using the density-functional theory. The Pt atom tends to occupy the axial bridge site of the BN tube with the highest binding energy of -0.91 eV. Upon Pt doping, several occupied and unoccupied impurity states are induced, which reduces the band gap of the pristine BN nanot...
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A first-principles formalism is employed to investigate the interaction of iron oxide (FeO) with a boron nitride (BN) nanotube. The stable structure of the FeO-nanotube has Fe atoms binding N atoms, with bond length of roughly ~2.1 Å, and binding between O and B atoms, with bond length of 1.55 Å. In case of small FeO concentrations, the total magnetic moment is (4 μ(Bohr)) times the number of F...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2007
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.76.073413