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Title: Structural studies of Hydrogenation and Dehydrogenation of Li 3N using in situ neutron diffraction

Abstract

In situ neutron diffraction studies were carried out on the hydrogen absorption and desorption of pure alpha Lithium Nitride. When the sample was exposed to deuterium gas (2H2) at 150C we observed no absorption for twelve hours. We observed an incomplete reaction between the Nitride and D2 at 200C with a 4% uptake. At 250C we observed a total of 7.2% hydrogen uptake. Interestingly we also observed a change in the volume of Li Imide during absorption and desorption at 250C indicating a possible stoichiometry change during this process. At the end of the experiment when the sample was cooled down to room temperature we observed two cubic phases in the sample with slightly different lattice parameters. This implies that in situ studies of the material are crucial to understand the reaction mechanism as the quenched sample exhibits rather different behavior than the sample under reaction conditions.

Authors:
 [1]
  1. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
931981
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry C; Journal Volume: 111
Country of Publication:
United States
Language:
English
Subject:
08 HYDROGEN; ABSORPTION; DEHYDROGENATION; DESORPTION; DEUTERIUM; HYDROGEN; HYDROGENATION; IMIDES; LATTICE PARAMETERS; LITHIUM NITRIDES; NEUTRON DIFFRACTION; NITRIDES; REACTION KINETICS; STOICHIOMETRY; Hydrogen Absorbing material; Metal Nitride; Neutron Diffraction

Citation Formats

Huq, Ashfia. Structural studies of Hydrogenation and Dehydrogenation of Li3N using in situ neutron diffraction. United States: N. p., 2007. Web.
Huq, Ashfia. Structural studies of Hydrogenation and Dehydrogenation of Li3N using in situ neutron diffraction. United States.
Huq, Ashfia. Mon . "Structural studies of Hydrogenation and Dehydrogenation of Li3N using in situ neutron diffraction". United States. doi:.
@article{osti_931981,
title = {Structural studies of Hydrogenation and Dehydrogenation of Li3N using in situ neutron diffraction},
author = {Huq, Ashfia},
abstractNote = {In situ neutron diffraction studies were carried out on the hydrogen absorption and desorption of pure alpha Lithium Nitride. When the sample was exposed to deuterium gas (2H2) at 150C we observed no absorption for twelve hours. We observed an incomplete reaction between the Nitride and D2 at 200C with a 4% uptake. At 250C we observed a total of 7.2% hydrogen uptake. Interestingly we also observed a change in the volume of Li Imide during absorption and desorption at 250C indicating a possible stoichiometry change during this process. At the end of the experiment when the sample was cooled down to room temperature we observed two cubic phases in the sample with slightly different lattice parameters. This implies that in situ studies of the material are crucial to understand the reaction mechanism as the quenched sample exhibits rather different behavior than the sample under reaction conditions.},
doi = {},
journal = {Journal of Physical Chemistry C},
number = ,
volume = 111,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}