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Ultrafast Molecular Transport on Carbon Surfaces: The Diffusion of Ammonia on Graphite

Tamtogl, A, Sacchi, Marco, Calvo-Almazan, I, Zbiri, M, Koza, MM, Ernst, WE and Fouquet, P (2017) Ultrafast Molecular Transport on Carbon Surfaces: The Diffusion of Ammonia on Graphite CARBON, 126. pp. 23-30.

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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 94K.

Item Type: Article
Divisions : Faculty of Engineering and Physical Sciences > Chemistry
Authors :
Tamtogl, A
Calvo-Almazan, I
Zbiri, M
Koza, MM
Ernst, WE
Fouquet, P
Date : 30 September 2017
DOI : 10.1016/j.carbon.2017.09.104
Copyright Disclaimer : © 2017. This manuscript version is made available under the CC-BY-NC-ND 4.0 license
Uncontrolled Keywords : Ammonia, Graphite, Diffusion, Neutron scattering, DFT, Adsorption
Depositing User : Melanie Hughes
Date Deposited : 29 Sep 2017 14:40
Last Modified : 30 Sep 2018 02:08

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