Nanopores of carbon nanotubes as practical hydrogen storage media

Sang Soo Han; Hyun Seok Kim; Kyu Sung Han; Jai Young Lee; Hyuck Mo Lee; Jeung Ku Kang; Seong Ihl Woo; Adri C.T. Van Duin; William A. Goddard

doi:10.1063/1.2133928

Nanopores of carbon nanotubes as practical hydrogen storage media

Sang Soo Han, Hyun Seok Kim, Kyu Sung Han, Jai Young Lee, Hyuck Mo Lee, Jeung Ku Kang, Seong Ihl Woo, Adri C.T. Van Duin, William A. Goddard

Research output: Contribution to journal › Article › peer-review

36 Scopus citations

Abstract

We report on hydrogen desorption mechanisms in the nanopores of multiwalled carbon nanotubes (MWCNTs). The as-grown MWCNTs show continuous walls that do not provide sites for hydrogen storage under ambient conditions. However, after treating the nanotubes with oxygen plasma to create nanopores in the MWCNTs, we observed the appearance of a new hydrogen desorption peak in the 300-350 K range. Furthermore, the calculations of density functional theory and molecular dynamics simulations confirmed that this peak could be attributed to the hydrogen that is physically adsorbed inside nanopores whose diameter is approximately 1 nm. Thus, we demonstrated that 1 nm nanopores in MWCNTs offer a promising route to hydrogen storage media for onboard practical applications.

Original language	English (US)
Article number	213113
Pages (from-to)	1-3
Number of pages	3
Journal	Applied Physics Letters
Volume	87
Issue number	21
DOIs	https://doi.org/10.1063/1.2133928
State	Published - 2005

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

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10.1063/1.2133928

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@article{9dcc7aba310c4935a54e1f5ffc5b4ef0,

title = "Nanopores of carbon nanotubes as practical hydrogen storage media",

abstract = "We report on hydrogen desorption mechanisms in the nanopores of multiwalled carbon nanotubes (MWCNTs). The as-grown MWCNTs show continuous walls that do not provide sites for hydrogen storage under ambient conditions. However, after treating the nanotubes with oxygen plasma to create nanopores in the MWCNTs, we observed the appearance of a new hydrogen desorption peak in the 300-350 K range. Furthermore, the calculations of density functional theory and molecular dynamics simulations confirmed that this peak could be attributed to the hydrogen that is physically adsorbed inside nanopores whose diameter is approximately 1 nm. Thus, we demonstrated that 1 nm nanopores in MWCNTs offer a promising route to hydrogen storage media for onboard practical applications.",

author = "Han, {Sang Soo} and Kim, {Hyun Seok} and Han, {Kyu Sung} and Lee, {Jai Young} and Lee, {Hyuck Mo} and Kang, {Jeung Ku} and Woo, {Seong Ihl} and {Van Duin}, {Adri C.T.} and Goddard, {William A.}",

note = "Funding Information: This research was supported by the research program of KOSEF (Grant No. R012005000103330) and the Center for Ultramicrochemical Process Systems (CUPS) sponsored by KOSEF (2005).",

year = "2005",

doi = "10.1063/1.2133928",

language = "English (US)",

volume = "87",

pages = "1--3",

journal = "Applied Physics Letters",

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publisher = "American Institute of Physics",

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TY - JOUR

T1 - Nanopores of carbon nanotubes as practical hydrogen storage media

AU - Han, Sang Soo

AU - Kim, Hyun Seok

AU - Han, Kyu Sung

AU - Lee, Jai Young

AU - Lee, Hyuck Mo

AU - Kang, Jeung Ku

AU - Woo, Seong Ihl

AU - Van Duin, Adri C.T.

AU - Goddard, William A.

N1 - Funding Information: This research was supported by the research program of KOSEF (Grant No. R012005000103330) and the Center for Ultramicrochemical Process Systems (CUPS) sponsored by KOSEF (2005).

PY - 2005

Y1 - 2005

N2 - We report on hydrogen desorption mechanisms in the nanopores of multiwalled carbon nanotubes (MWCNTs). The as-grown MWCNTs show continuous walls that do not provide sites for hydrogen storage under ambient conditions. However, after treating the nanotubes with oxygen plasma to create nanopores in the MWCNTs, we observed the appearance of a new hydrogen desorption peak in the 300-350 K range. Furthermore, the calculations of density functional theory and molecular dynamics simulations confirmed that this peak could be attributed to the hydrogen that is physically adsorbed inside nanopores whose diameter is approximately 1 nm. Thus, we demonstrated that 1 nm nanopores in MWCNTs offer a promising route to hydrogen storage media for onboard practical applications.

AB - We report on hydrogen desorption mechanisms in the nanopores of multiwalled carbon nanotubes (MWCNTs). The as-grown MWCNTs show continuous walls that do not provide sites for hydrogen storage under ambient conditions. However, after treating the nanotubes with oxygen plasma to create nanopores in the MWCNTs, we observed the appearance of a new hydrogen desorption peak in the 300-350 K range. Furthermore, the calculations of density functional theory and molecular dynamics simulations confirmed that this peak could be attributed to the hydrogen that is physically adsorbed inside nanopores whose diameter is approximately 1 nm. Thus, we demonstrated that 1 nm nanopores in MWCNTs offer a promising route to hydrogen storage media for onboard practical applications.

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JO - Applied Physics Letters

JF - Applied Physics Letters

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ER -

Nanopores of carbon nanotubes as practical hydrogen storage media

Abstract

All Science Journal Classification (ASJC) codes

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