Catalytic role of carbons in methane decomposition for CO- and CO2-free hydrogen generation

Huang, Liping; Santiso, Erik E.; Buongiorno Nardelli, Marco; Gubbins, Keith E.

doi:10.1063/1.2931456

Catalytic role of carbons in methane decomposition for CO- and CO2-free hydrogen generation

Journal Article · Tue Jan 01 04:00:00 EST 2008 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.2931456· OSTI ID:1004453

Huang, Liping ^[1]; Santiso, Erik E. ^[1]; Buongiorno Nardelli, Marco ^[1]; Gubbins, Keith E. ^[1]

ORNL

Decomposition of methane is an environmentally attractive approach to CO- and CO2-free hydrogen production. Using first principles calculations at the density functional theory level, our studies demonstrate that the defective carbons can be used as catalysts for methane decomposition, without the need for other catalysts, such as transition metals or oxides, and the catalytic sites can be regenerated by the deposition of carbon decomposed from methane, to make the hydrogen production a continuous process. Additionally, since no other gases are produced in the process, the cost of CO2 sequestration and hydrogen purification from CO contamination will be dramatically reduced.

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-00OR22725

OSTI ID:: 1004453

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 21 Vol. 128; ISSN 0021-9606

Country of Publication:: United States

Language:: English

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