Dynamics of ammonia borane using neutron scattering

Craig M. Brown; Teresa L. Jacques; Nancy J. Hess; Luke L. Daemen; Eugene Mamontov; John C. Linehan; Ashley C. Stowe; Tom Autrey

doi:10.1016/j.physb.2006.05.063

Dynamics of ammonia borane using neutron scattering

Craig M. Brown, Teresa L. Jacques, Nancy J. Hess, Luke L. Daemen, Eugene Mamontov, John C. Linehan, Ashley C. Stowe, Tom Autrey

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

We have used both the backscattering (HFBS) and time-of-flight (DCS) neutron spectrometers to investigate proton dynamics in ammonia borane, a compound of intense interest as a model for 'chemical hydrogen storage' materials. Results indicate that the deposition of ammonia borane on a mesoporous silicate results in longer proton residence times and lower energy barriers for proton motion compared to bulk ammonia borane. The reduced activation energy for proton motions may partly explain the improved thermolysis and lowering the activation barrier for the loss of the first equivalent of H₂. In addition, the phonon density of states for neat ammonia borane compares well with other spectroscopic results, with the intense peak at 22 meV assigned to the librational NH₃ and BH₃ modes, whereas ammonia borane on MCM-41 displays a broad, featureless spectrum indicating a poorly crystalline material.

Original language	English
Pages (from-to)	266-268
Number of pages	3
Journal	Physica B: Physics of Condensed Matter
Volume	385-386 I
DOIs	https://doi.org/10.1016/j.physb.2006.05.063
State	Published - Nov 27 2006
Externally published	Yes

Funding

C.M.B. and T.L.J. thank the NIST Summer Undergraduate Research Fellowship program, the NCNR, Terrence Udovic, Juscelino Leão and Brian Toby for their support and help. The National Science Foundation (DMR-0086210) supported work performed at the NCNR.

Funders	Funder number
National Science Foundation	DMR-0086210
National Institute of Standards and Technology
NIST Center for Neutron Research

Keywords

Backscattering
Dynamics
Hydrogen storage
Neutron
Quasielastic scattering

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1016/j.physb.2006.05.063

Cite this

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title = "Dynamics of ammonia borane using neutron scattering",

abstract = "We have used both the backscattering (HFBS) and time-of-flight (DCS) neutron spectrometers to investigate proton dynamics in ammonia borane, a compound of intense interest as a model for 'chemical hydrogen storage' materials. Results indicate that the deposition of ammonia borane on a mesoporous silicate results in longer proton residence times and lower energy barriers for proton motion compared to bulk ammonia borane. The reduced activation energy for proton motions may partly explain the improved thermolysis and lowering the activation barrier for the loss of the first equivalent of H2. In addition, the phonon density of states for neat ammonia borane compares well with other spectroscopic results, with the intense peak at 22 meV assigned to the librational NH3 and BH3 modes, whereas ammonia borane on MCM-41 displays a broad, featureless spectrum indicating a poorly crystalline material.",

keywords = "Backscattering, Dynamics, Hydrogen storage, Neutron, Quasielastic scattering",

author = "Brown, {Craig M.} and Jacques, {Teresa L.} and Hess, {Nancy J.} and Daemen, {Luke L.} and Eugene Mamontov and Linehan, {John C.} and Stowe, {Ashley C.} and Tom Autrey",

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T1 - Dynamics of ammonia borane using neutron scattering

AU - Brown, Craig M.

AU - Jacques, Teresa L.

AU - Hess, Nancy J.

AU - Daemen, Luke L.

AU - Mamontov, Eugene

AU - Linehan, John C.

AU - Stowe, Ashley C.

AU - Autrey, Tom

PY - 2006/11/27

Y1 - 2006/11/27

N2 - We have used both the backscattering (HFBS) and time-of-flight (DCS) neutron spectrometers to investigate proton dynamics in ammonia borane, a compound of intense interest as a model for 'chemical hydrogen storage' materials. Results indicate that the deposition of ammonia borane on a mesoporous silicate results in longer proton residence times and lower energy barriers for proton motion compared to bulk ammonia borane. The reduced activation energy for proton motions may partly explain the improved thermolysis and lowering the activation barrier for the loss of the first equivalent of H2. In addition, the phonon density of states for neat ammonia borane compares well with other spectroscopic results, with the intense peak at 22 meV assigned to the librational NH3 and BH3 modes, whereas ammonia borane on MCM-41 displays a broad, featureless spectrum indicating a poorly crystalline material.

AB - We have used both the backscattering (HFBS) and time-of-flight (DCS) neutron spectrometers to investigate proton dynamics in ammonia borane, a compound of intense interest as a model for 'chemical hydrogen storage' materials. Results indicate that the deposition of ammonia borane on a mesoporous silicate results in longer proton residence times and lower energy barriers for proton motion compared to bulk ammonia borane. The reduced activation energy for proton motions may partly explain the improved thermolysis and lowering the activation barrier for the loss of the first equivalent of H2. In addition, the phonon density of states for neat ammonia borane compares well with other spectroscopic results, with the intense peak at 22 meV assigned to the librational NH3 and BH3 modes, whereas ammonia borane on MCM-41 displays a broad, featureless spectrum indicating a poorly crystalline material.

KW - Backscattering

KW - Dynamics

KW - Hydrogen storage

KW - Neutron

KW - Quasielastic scattering

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DO - 10.1016/j.physb.2006.05.063

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SN - 0921-4526

VL - 385-386 I

SP - 266

EP - 268

JO - Physica B: Physics of Condensed Matter

JF - Physica B: Physics of Condensed Matter

ER -

Dynamics of ammonia borane using neutron scattering

Abstract

Funding

Keywords

UN SDGs

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