Journal article
Small-angle neutron scattering characterization of the structure of nanoporous carbons for energy-related applications
Microporous and mesoporous materials, Vol.149(1), pp.46-54
2012
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Abstract
[Display omitted]
► We studied the structure of porous carbide-derived carbon. ► Samples were obtained at four different chlorination temperatures
T
Cl. ► SANS indicates a crossover from nearly spherical to elongated pores as
T
Cl increases. ► SANS results agree with gas adsorption measurements at high
T
Cl. ► For lower
T
Cl, pore radii obtained from gas sorption are overestimated.
We used small-angle neutron scattering (SANS) and neutron contrast variation to study the structure of four nanoporous carbons prepared by thermo-chemical etching of titanium carbide TiC in chlorine at 300, 400, 600, and 800
°C with pore diameters ranging between ∼4 and ∼11
Å. SANS patterns were obtained from dry samples and samples saturated with deuterium oxide (D
2O) in order to delineate origin of the power law scattering in the low
Q domain as well as to evaluate pore accessibility for D
2O molecules. SANS cross section of all samples was fitted to Debye–Anderson–Brumberger (DAB), DAB–Kirste–Porod models as well as to the Guinier and modified Guinier formulae for cylindrical objects, which allowed for evaluating the radii of gyration as well as the radii and lengths of the pores under cylindrical shape approximation. SANS data from D
2O-saturated samples indicate that strong upturn in the low
Q limit usually observed in the scattering patterns from microporous carbon powders is due to the scattering from outer surface of the powder particles. Micropores are only partially filled with D
2O molecules due to geometrical constraints and or partial hydrophobicity of the carbon matrix. Structural parameters of the dry carbons obtained using SANS are compared with the results of the gas sorption measurements and the values agree for carbide-derived carbons (CDCs) obtained at high chlorination temperatures (>600
°C). For lower chlorination temperatures, pore radii obtained from gas sorption overestimate the actual pore size as calculated from SANS for two reasons: inaccessible small pores are present and the model-dependent fitting based on density functional theory models assumes non-spherical pores, whereas SANS clearly indicates that the pore shape in microporous CDC obtained at low chlorination temperatures is nearly spherical.
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Details
- Title
- Small-angle neutron scattering characterization of the structure of nanoporous carbons for energy-related applications
- Creators
- Lilin He - Neutron Scattering Science Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USASuresh M Chathoth - Neutron Scattering Science Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USAYuri B Melnichenko - Neutron Scattering Science Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USAVolker Presser - Department of Material Science and Engineering and A.J. Drexel Nanotechnology Institute (DNI), Drexel University, Philadelphia, PA 19104, USAJohn McDonough - Department of Material Science and Engineering and A.J. Drexel Nanotechnology Institute (DNI), Drexel University, Philadelphia, PA 19104, USAYury Gogotsi - Department of Material Science and Engineering and A.J. Drexel Nanotechnology Institute (DNI), Drexel University, Philadelphia, PA 19104, USA
- Publication Details
- Microporous and mesoporous materials, Vol.149(1), pp.46-54
- Publisher
- Elsevier
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Identifiers
- 991014970036304721
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- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Chemistry, Applied
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology