Properties of immobile hydrogen confined in microporous carbon

Bahadur, Jitendra; Contescu, Cristian I.; Ramirez-Cuesta, Anibal J.; Mamontov, Eugene; Gallego, Nidia C.; Cheng, Yongqiang; Daemen, Luke L.; Melnichenko, Yuri B.

doi:10.1016/j.carbon.2017.03.007

Title: Properties of immobile hydrogen confined in microporous carbon

Abstract

The mobility of H2 confined in microporous carbon was studied as a function of temperature and pressure using inelastic neutron scattering, and the translational and rotational motion of H2 molecules has been probed. At low loading, rotation of H2 molecules adsorbed in the smallest carbon pores (~6 ) is severely hindered, suggesting that the interaction between H2 and the host matrix is anisotropic. At higher loading, H2 molecules behave as nearly free rotor, implying lower anisotropic interactions with adsorption sites. At supercritical temperatures where bulk H2 is a gas, the inelastic spectrum of confined H2 provides evidence of a significant fraction of immobile, solid-like hydrogen. The onset temperature for molecular mobility depends strongly on the loaded amount. The fraction of immobile molecules increases with pressure and attains a plateau at high pressures. Surprisingly, immobile H2 is present even at temperatures as high as ~110 K. This research at ORNL s Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy. This research was supported in part by the ORNL Postdoctoral Research Associates Program, administered jointly by the ORNL and the Oak Ridge Institute for Science and Education. CIC andmore »« less

Authors:

Bahadur, Jitendra ^[1]; Bhabha Atomic Research Centre ^[2]; Contescu, Cristian I. ^[1]; Ramirez-Cuesta, Anibal J. ^[1]; Mamontov, Eugene ^[1]; Gallego, Nidia C. ^[1]; Cheng, Yongqiang ^[1]; Daemen, Luke L. ^[1]; Melnichenko, Yuri B. ^[3]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
(BARC), Mumbai (India)
Bhabha Atomic Research Centre (BARC), Mumbai (India)

Publication Date:: Mon Mar 06 00:00:00 EST 2017

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1347306

Alternate Identifier(s):: OSTI ID: 1396899

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Carbon

Additional Journal Information:: Journal Volume: 117; Journal ID: ISSN 0008-6223

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 08 HYDROGEN; carbon; hydrogen; adsorption; inelastic neutron scattering

Citation Formats


                    Bahadur, Jitendra, Bhabha Atomic Research Centre, Contescu, Cristian I., Ramirez-Cuesta, Anibal J., Mamontov, Eugene, Gallego, Nidia C., Cheng, Yongqiang, Daemen, Luke L., and Melnichenko, Yuri B. Properties of immobile hydrogen confined in microporous carbon.  United States: N. p., 2017. 
Web.  doi:10.1016/j.carbon.2017.03.007.

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                    Bahadur, Jitendra, Bhabha Atomic Research Centre, Contescu, Cristian I., Ramirez-Cuesta, Anibal J., Mamontov, Eugene, Gallego, Nidia C., Cheng, Yongqiang, Daemen, Luke L., & Melnichenko, Yuri B. Properties of immobile hydrogen confined in microporous carbon.  United States.  https://doi.org/10.1016/j.carbon.2017.03.007

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                    Bahadur, Jitendra, Bhabha Atomic Research Centre, Contescu, Cristian I., Ramirez-Cuesta, Anibal J., Mamontov, Eugene, Gallego, Nidia C., Cheng, Yongqiang, Daemen, Luke L., and Melnichenko, Yuri B. Mon .  
"Properties of immobile hydrogen confined in microporous carbon".  United States.  https://doi.org/10.1016/j.carbon.2017.03.007.  https://www.osti.gov/servlets/purl/1347306.

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@article{osti_1347306,

  title        = {Properties of immobile hydrogen confined in microporous carbon},

  author       = {Bahadur, Jitendra and Bhabha Atomic Research Centre and Contescu, Cristian I. and Ramirez-Cuesta, Anibal J. and Mamontov, Eugene and Gallego, Nidia C. and Cheng, Yongqiang and Daemen, Luke L. and Melnichenko, Yuri B.},

  abstractNote = {The mobility of H2 confined in microporous carbon was studied as a function of temperature and pressure using inelastic neutron scattering, and the translational and rotational motion of H2 molecules has been probed. At low loading, rotation of H2 molecules adsorbed in the smallest carbon pores (~6 ) is severely hindered, suggesting that the interaction between H2 and the host matrix is anisotropic. At higher loading, H2 molecules behave as nearly free rotor, implying lower anisotropic interactions with adsorption sites. At supercritical temperatures where bulk H2 is a gas, the inelastic spectrum of confined H2 provides evidence of a significant fraction of immobile, solid-like hydrogen. The onset temperature for molecular mobility depends strongly on the loaded amount. The fraction of immobile molecules increases with pressure and attains a plateau at high pressures. Surprisingly, immobile H2 is present even at temperatures as high as ~110 K. This research at ORNL s Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy. This research was supported in part by the ORNL Postdoctoral Research Associates Program, administered jointly by the ORNL and the Oak Ridge Institute for Science and Education. CIC and NCG acknowledge support from the Materials Science and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy.},

  doi          = {10.1016/j.carbon.2017.03.007},

  journal      = {Carbon},

  number       = ,

  volume       = 117,

  place        = {United States},

  year         = {Mon Mar 06 00:00:00 EST 2017},

  month        = {Mon Mar 06 00:00:00 EST 2017}

}

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Works referencing / citing this record:

Nanoporous polymer-based composites for enhanced hydrogen storage
journal, May 2019

Tian, Mi; Rochat, Sébastien; Polak-Kraśna, Katarzyna
Adsorption, Vol. 25, Issue 4
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Title: Properties of immobile hydrogen confined in microporous carbon

Abstract

Citation Formats

Storage of hydrogen in single-walled carbon nanotubes journal, March 1997

Hydrogen Storage in Microporous Metal-Organic Frameworks journal, May 2003

Hydrogen-storage materials for mobile applications journal, November 2001

High Hydrogen Storage Capacity of Porous Carbons Prepared by Using Activated Carbon journal, May 2009

Hydrogen Storage in High Surface Area Carbons: Experimental Demonstration of the Effects of Nitrogen Doping journal, November 2009

Tailoring of Nanoscale Porosity in Carbide-Derived Carbons for Hydrogen Storage journal, November 2005

Nanoporous carbide-derived carbon with tunable pore size journal, August 2003

Importance of pore size in high-pressure hydrogen storage by porous carbons journal, August 2009

Carbide-Derived Carbons: A Comparative Study of Porosity Based on Small-Angle Scattering and Adsorption Isotherms journal, October 2006

Hydrogen Storage in High Surface Area Carbons with Identical Surface Areas but Different Pore Sizes: Direct Demonstration of the Effects of Pore Size journal, November 2012

High density hydrogen storage in superactivated carbons from hydrothermally carbonized renewable organic materials journal, January 2011

Hydrogen storage in activated carbon materials: Role of the nanoporous texture journal, January 2004

Enhanced Hydrogen Storage Capacity of High Surface Area Zeolite-like Carbon Materials journal, February 2007

Carbide-Derived Carbons: Effect of Pore Size on Hydrogen Uptake and Heat of Adsorption journal, November 2006

Theoretical investigation of the effect of graphite interlayer spacing on hydrogen absorption journal, October 2007

The optimum average nanopore size for hydrogen storage in carbon nanoporous materials journal, November 2007

Storage of hydrogen in nanostructured carbon materials journal, May 2009

Topological Defects: Origin of Nanopores and Enhanced Adsorption Performance in Nanoporous Carbon journal, August 2012

Modern approaches to studying gas adsorption in nanoporous carbons journal, January 2013

Hydrogen storage by carbon materials journal, September 2006

Atypical hydrogen uptake on chemically-activated, ultramicroporous carbon journal, April 2010

Hydrogen Confinement in Carbon Nanopores: Extreme Densification at Ambient Temperature journal, September 2011

Investigation of morphology and hydrogen adsorption capacity of disordered carbons journal, December 2014

Quantum Effects on Hydrogen Adsorption in Internal Nanospaces of Single-Wall Carbon Nanohorns journal, November 2004

Liquid-like hydrogen in the micropores of commercial activated carbons journal, November 2015

From The Cover: Graphene nanostructures as tunable storage media for molecular hydrogen journal, July 2005

Prediction of Hydrogen Adsorption Properties in Expanded Graphite Model and in Nanoporous Carbon journal, August 2010

Direct Evidence for Solid-like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures journal, July 2015

Isotope Effect on Adsorbed Quantum Phases: Diffusion of H 2 and D 2 in Nanoporous Carbon journal, June 2013

Restricted dynamics of molecular hydrogen confined in activated carbon nanopores journal, March 2012

SANS investigations of CO2 adsorption in microporous carbon journal, December 2015

Resolution of VISION, a crystal-analyzer spectrometer journal, June 2009

HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: IX. SPECTRA OF H 2 , HD, AND D 2 journal, June 1957

Phonons in Solid Hydrogen and Deuterium Studied by Inelastic Coherent Neutron Scattering journal, February 1973

Selective adsorption of 1H2 and 2H2 on the (0001) graphite surface journal, March 1980

Interaction of hydrogen with solid surfaces journal, July 1988

Quantum rotation of hydrogen in single-wall carbon nanotubes journal, October 2000

The rotational and translational dynamics of molecular hydrogen physisorbed in activated carbon: A direct probe of microporosity and hydrogen storage performance journal, November 2006

Physisorption and ortho–para conversion of molecular hydrogen on solid surfaces journal, December 2013

Effects of Rotational-Symmetry Breaking on Physisorption of Ortho- and Para- H 2 on Ag(111) journal, April 2014

Nature of the Bound States of Molecular Hydrogen in Carbon Nanohorns journal, May 2007

In situ inelastic neutron scattering studies of the rotational and translational dynamics of molecular hydrogen adsorbed in single-wall carbon nanotubes (SWNTs) journal, January 2005

Hydrogen site occupancies in single-walled carbon nanotubes studied by inelastic neutron scattering journal, February 2004

Deep inelastic neutron scattering of H 2 in single-walled carbon nanotubes journal, May 2002

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Neutron scattering study of H2 adsorption in single-walled carbon nanotubes journal, November 2001

Hydrogen Adsorption in Carbon Nanostructures: Comparison of Nanotubes, Fibers, and Coals journal, October 2003

Slow Neutron Scattering by Molecular Hydrogen and Deuterium journal, August 1964

Inelastic neutron scattering investigations of the quantum molecular dynamics of a H 2 molecule entrapped inside a fullerene cage journal, May 2012

Quantum excitation spectrum of hydrogen adsorbed in nanoporous carbons observed by inelastic neutron scattering journal, July 2013

DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data journal, November 2009

Quantum dynamics of interstitial H 2 in solid C 60 journal, September 1999

Thermodynamics of Hydrogen Adsorption in Slit-like Carbon Nanopores at 77 K. Classical versus Path-Integral Monte Carlo Simulations journal, March 2007

Nanoporous polymer-based composites for enhanced hydrogen storage journal, May 2019

Storage of hydrogen in single-walled carbon nanotubes
journal, March 1997

Hydrogen Storage in Microporous Metal-Organic Frameworks
journal, May 2003

Hydrogen-storage materials for mobile applications
journal, November 2001

High Hydrogen Storage Capacity of Porous Carbons Prepared by Using Activated Carbon
journal, May 2009

Hydrogen Storage in High Surface Area Carbons: Experimental Demonstration of the Effects of Nitrogen Doping
journal, November 2009

Tailoring of Nanoscale Porosity in Carbide-Derived Carbons for Hydrogen Storage
journal, November 2005

Nanoporous carbide-derived carbon with tunable pore size
journal, August 2003

Importance of pore size in high-pressure hydrogen storage by porous carbons
journal, August 2009

Carbide-Derived Carbons: A Comparative Study of Porosity Based on Small-Angle Scattering and Adsorption Isotherms
journal, October 2006

Hydrogen Storage in High Surface Area Carbons with Identical Surface Areas but Different Pore Sizes: Direct Demonstration of the Effects of Pore Size
journal, November 2012

High density hydrogen storage in superactivated carbons from hydrothermally carbonized renewable organic materials
journal, January 2011

Hydrogen storage in activated carbon materials: Role of the nanoporous texture
journal, January 2004

Enhanced Hydrogen Storage Capacity of High Surface Area Zeolite-like Carbon Materials
journal, February 2007

Carbide-Derived Carbons: Effect of Pore Size on Hydrogen Uptake and Heat of Adsorption
journal, November 2006

Theoretical investigation of the effect of graphite interlayer spacing on hydrogen absorption
journal, October 2007

The optimum average nanopore size for hydrogen storage in carbon nanoporous materials
journal, November 2007

Storage of hydrogen in nanostructured carbon materials
journal, May 2009

Topological Defects: Origin of Nanopores and Enhanced Adsorption Performance in Nanoporous Carbon
journal, August 2012

Modern approaches to studying gas adsorption in nanoporous carbons
journal, January 2013

Hydrogen storage by carbon materials
journal, September 2006

Atypical hydrogen uptake on chemically-activated, ultramicroporous carbon
journal, April 2010

Hydrogen Confinement in Carbon Nanopores: Extreme Densification at Ambient Temperature
journal, September 2011

Investigation of morphology and hydrogen adsorption capacity of disordered carbons
journal, December 2014

Quantum Effects on Hydrogen Adsorption in Internal Nanospaces of Single-Wall Carbon Nanohorns
journal, November 2004

Liquid-like hydrogen in the micropores of commercial activated carbons
journal, November 2015

From The Cover: Graphene nanostructures as tunable storage media for molecular hydrogen
journal, July 2005

Prediction of Hydrogen Adsorption Properties in Expanded Graphite Model and in Nanoporous Carbon
journal, August 2010

Direct Evidence for Solid-like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures
journal, July 2015

Isotope Effect on Adsorbed Quantum Phases: Diffusion of $H_{2}$ and $D_{2}$ in Nanoporous Carbon
journal, June 2013

Restricted dynamics of molecular hydrogen confined in activated carbon nanopores
journal, March 2012

SANS investigations of CO2 adsorption in microporous carbon
journal, December 2015

Resolution of VISION, a crystal-analyzer spectrometer
journal, June 2009

HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: IX. SPECTRA OF H ₂ , HD, AND D ₂
journal, June 1957

Phonons in Solid Hydrogen and Deuterium Studied by Inelastic Coherent Neutron Scattering
journal, February 1973

Selective adsorption of 1H2 and 2H2 on the (0001) graphite surface
journal, March 1980

Interaction of hydrogen with solid surfaces
journal, July 1988

Quantum rotation of hydrogen in single-wall carbon nanotubes
journal, October 2000

The rotational and translational dynamics of molecular hydrogen physisorbed in activated carbon: A direct probe of microporosity and hydrogen storage performance
journal, November 2006

Physisorption and ortho–para conversion of molecular hydrogen on solid surfaces
journal, December 2013

Effects of Rotational-Symmetry Breaking on Physisorption of Ortho- and Para- $H_{2}$ on Ag(111)
journal, April 2014

Nature of the Bound States of Molecular Hydrogen in Carbon Nanohorns
journal, May 2007

In situ inelastic neutron scattering studies of the rotational and translational dynamics of molecular hydrogen adsorbed in single-wall carbon nanotubes (SWNTs)
journal, January 2005

Hydrogen site occupancies in single-walled carbon nanotubes studied by inelastic neutron scattering
journal, February 2004

Deep inelastic neutron scattering of $H_{2}$ in single-walled carbon nanotubes
journal, May 2002

Diffusion of $H_{2}$ adsorbed on single-walled carbon nanotubes
journal, May 2003

Neutron scattering study of H2 adsorption in single-walled carbon nanotubes
journal, November 2001

Hydrogen Adsorption in Carbon Nanostructures: Comparison of Nanotubes, Fibers, and Coals
journal, October 2003

Slow Neutron Scattering by Molecular Hydrogen and Deuterium
journal, August 1964

Inelastic neutron scattering investigations of the quantum molecular dynamics of a H $_{2}$ molecule entrapped inside a fullerene cage
journal, May 2012

Quantum excitation spectrum of hydrogen adsorbed in nanoporous carbons observed by inelastic neutron scattering
journal, July 2013

DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data
journal, November 2009

Quantum dynamics of interstitial $H_{2}$ in solid $C_{60}$
journal, September 1999

Thermodynamics of Hydrogen Adsorption in Slit-like Carbon Nanopores at 77 K. Classical versus Path-Integral Monte Carlo Simulations
journal, March 2007

Nanoporous polymer-based composites for enhanced hydrogen storage
journal, May 2019