Ultrafast molecular transport on carbon surfaces: The diffusion of ammonia on graphite
Abstract
We present a combined experimental and theoretical study of the self-diffusion of ammonia on exfoliated graphite. Using neutron time-of-flight spectroscopy we are able to resolve the ultrafast diffusion process of adsorbed ammonia, NH3, on graphite. Together with van der Waals corrected density functional theory calculations we show that the diffusion of NH3 follows a hopping motion on a weakly corrugated potential energy surface with an activation energy of about 4 meV which is particularly low for this type of diffusive motion. The hopping motion includes further a significant number of long jumps and the diffusion constant of ammonia adsorbed on graphite is determined with D = 3.9•10-8 m2/s at 94 K.
- Authors:
-
[1];
- Graz Univ. of Technology (Austria)
- Univ. of Surrey, Guildford (United Kingdom)
- Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of Cambridge (United Kingdom). Cavendish Lab.
- Inst. Laue-Langevin (ILL), Grenoble (France)
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- Engineering and Physical Sciences Research Council (EPSRC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
- OSTI Identifier:
- 1476645
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Carbon
- Additional Journal Information:
- Journal Volume: 126; Journal Issue: C; Journal ID: ISSN 0008-6223
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Adsorption; Ammonia; DFT; Diffusion; Graphite; Neutron scattering
Citation Formats
Tamtögl, Anton, Sacchi, M., Calvo-Almazán, I., Zbiri, M., Koza, M. M., Ernst, W. E., and Fouquet, P. Ultrafast molecular transport on carbon surfaces: The diffusion of ammonia on graphite. United States: N. p., 2018.
Web. doi:10.1016/j.carbon.2017.09.104.
Tamtögl, Anton, Sacchi, M., Calvo-Almazán, I., Zbiri, M., Koza, M. M., Ernst, W. E., & Fouquet, P. Ultrafast molecular transport on carbon surfaces: The diffusion of ammonia on graphite. United States. https://doi.org/10.1016/j.carbon.2017.09.104
Tamtögl, Anton, Sacchi, M., Calvo-Almazán, I., Zbiri, M., Koza, M. M., Ernst, W. E., and Fouquet, P. Sun .
"Ultrafast molecular transport on carbon surfaces: The diffusion of ammonia on graphite". United States. https://doi.org/10.1016/j.carbon.2017.09.104. https://www.osti.gov/servlets/purl/1476645.
@article{osti_1476645,
title = {Ultrafast molecular transport on carbon surfaces: The diffusion of ammonia on graphite},
author = {Tamtögl, Anton and Sacchi, M. and Calvo-Almazán, I. and Zbiri, M. and Koza, M. M. and Ernst, W. E. and Fouquet, P.},
abstractNote = {We present a combined experimental and theoretical study of the self-diffusion of ammonia on exfoliated graphite. Using neutron time-of-flight spectroscopy we are able to resolve the ultrafast diffusion process of adsorbed ammonia, NH3, on graphite. Together with van der Waals corrected density functional theory calculations we show that the diffusion of NH3 follows a hopping motion on a weakly corrugated potential energy surface with an activation energy of about 4 meV which is particularly low for this type of diffusive motion. The hopping motion includes further a significant number of long jumps and the diffusion constant of ammonia adsorbed on graphite is determined with D = 3.9•10-8 m2/s at 94 K.},
doi = {10.1016/j.carbon.2017.09.104},
journal = {Carbon},
number = C,
volume = 126,
place = {United States},
year = {Sun Sep 30 00:00:00 EDT 2018},
month = {Sun Sep 30 00:00:00 EDT 2018}
}
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Works referencing / citing this record:
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