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Empirical Determination of Scattering Matrices from Magnetic Molecular Interferometry for Gas–Surface Collisions

Helen Chadwick Orcid Logo, Gil Alexandrowicz Orcid Logo

The Journal of Physical Chemistry C, Volume: 128, Issue: 49, Pages: 20913 - 20922

Swansea University Authors: Helen Chadwick Orcid Logo, Gil Alexandrowicz Orcid Logo

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DOI (Published version): 10.1021/acs.jpcc.4c06913

Abstract

The rotational orientation dependence of H2 scattering into different diffraction channels on a Cu(511) surface is studied using a magnetic manipulation interferometry technique. For some channels, markedly different signals are measured, whereas for others, they are more similar. The data are analy...

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Published in: The Journal of Physical Chemistry C
ISSN: 1932-7447 1932-7455
Published: American Chemical Society (ACS) 2024
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URI: https://cronfa.swan.ac.uk/Record/cronfa68321
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last_indexed 2025-01-30T20:24:40Z
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spelling 2025-01-30T15:38:24.0974130 v2 68321 2024-11-21 Empirical Determination of Scattering Matrices from Magnetic Molecular Interferometry for Gas–Surface Collisions 8ff1942a68a875f00d473d51aa4947a1 0000-0003-4119-6903 Helen Chadwick Helen Chadwick true false 1401818466c1114ae2035b811568a38e 0000-0003-3203-5577 Gil Alexandrowicz Gil Alexandrowicz true false 2024-11-21 EAAS The rotational orientation dependence of H2 scattering into different diffraction channels on a Cu(511) surface is studied using a magnetic manipulation interferometry technique. For some channels, markedly different signals are measured, whereas for others, they are more similar. The data are analyzed to obtain scattering matrices, which quantify how the amplitude and phase of the wave function change during the gas–surface collision and are extremely sensitive to the underlying potential. Fits to simulated data with noise at levels comparable to those obtained in the experimental data are also presented, which provide an estimate of the error on the scattering matrix parameters that are obtained, with the uncertainties in the values tending to be lower for the higher order diffraction peaks. The results presented here provide extremely stringent benchmarks for the development of accurate theoretical models, with the number of different channels studied reducing the likelihood of an inaccurate model fortuitously reproducing all the data. Journal Article The Journal of Physical Chemistry C 128 49 20913 20922 American Chemical Society (ACS) 1932-7447 1932-7455 12 12 2024 2024-12-12 10.1021/acs.jpcc.4c06913 COLLEGE NANME Engineering and Applied Sciences School COLLEGE CODE EAAS Swansea University SU Library paid the OA fee (TA Institutional Deal) The work was funded by an EPSRC standard grant (EP/X037886/1) and a UKRI Future Leaders Fellowship (MR/X03609X/1). The support of the Supercomputing Wales project, which is part funded by the European Regional Development Fund (ERDF) via the Welsh Government is also acknowledged. 2025-01-30T15:38:24.0974130 2024-11-21T16:52:45.4304826 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemistry Helen Chadwick 0000-0003-4119-6903 1 Gil Alexandrowicz 0000-0003-3203-5577 2 68321__33013__8f812d274d0a48a2bd2e3d5d92e07c70.pdf chadwick-alexandrowicz-2024-empirical-determination-of-scattering-matrices-from-magnetic-molecular-interferometry-for.pdf 2024-12-02T12:30:47.6771396 Output 3245068 application/pdf Version of Record true © 2024 The Authors. This article is licensed under CC-BY 4.0. true eng https://creativecommons.org/licenses/by/4.0/
title Empirical Determination of Scattering Matrices from Magnetic Molecular Interferometry for Gas–Surface Collisions
spellingShingle Empirical Determination of Scattering Matrices from Magnetic Molecular Interferometry for Gas–Surface Collisions
Helen Chadwick
Gil Alexandrowicz
title_short Empirical Determination of Scattering Matrices from Magnetic Molecular Interferometry for Gas–Surface Collisions
title_full Empirical Determination of Scattering Matrices from Magnetic Molecular Interferometry for Gas–Surface Collisions
title_fullStr Empirical Determination of Scattering Matrices from Magnetic Molecular Interferometry for Gas–Surface Collisions
title_full_unstemmed Empirical Determination of Scattering Matrices from Magnetic Molecular Interferometry for Gas–Surface Collisions
title_sort Empirical Determination of Scattering Matrices from Magnetic Molecular Interferometry for Gas–Surface Collisions
author_id_str_mv 8ff1942a68a875f00d473d51aa4947a1
1401818466c1114ae2035b811568a38e
author_id_fullname_str_mv 8ff1942a68a875f00d473d51aa4947a1_***_Helen Chadwick
1401818466c1114ae2035b811568a38e_***_Gil Alexandrowicz
author Helen Chadwick
Gil Alexandrowicz
author2 Helen Chadwick
Gil Alexandrowicz
format Journal article
container_title The Journal of Physical Chemistry C
container_volume 128
container_issue 49
container_start_page 20913
publishDate 2024
institution Swansea University
issn 1932-7447
1932-7455
doi_str_mv 10.1021/acs.jpcc.4c06913
publisher American Chemical Society (ACS)
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Chemistry{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemistry
document_store_str 1
active_str 0
description The rotational orientation dependence of H2 scattering into different diffraction channels on a Cu(511) surface is studied using a magnetic manipulation interferometry technique. For some channels, markedly different signals are measured, whereas for others, they are more similar. The data are analyzed to obtain scattering matrices, which quantify how the amplitude and phase of the wave function change during the gas–surface collision and are extremely sensitive to the underlying potential. Fits to simulated data with noise at levels comparable to those obtained in the experimental data are also presented, which provide an estimate of the error on the scattering matrix parameters that are obtained, with the uncertainties in the values tending to be lower for the higher order diffraction peaks. The results presented here provide extremely stringent benchmarks for the development of accurate theoretical models, with the number of different channels studied reducing the likelihood of an inaccurate model fortuitously reproducing all the data.
published_date 2024-12-12T09:38:23Z
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score 11.059721

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