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Rotational orientation control of a ground state ortho-H2 dissociation on a metal surface

Helen Chadwick Orcid Logo, Guodong Zhang, Christopher Baker Orcid Logo, Paul Smith, Gil Alexandrowicz Orcid Logo

Nature Communications, Volume: 16, Start page: 4625

Swansea University Authors: Helen Chadwick Orcid Logo, Guodong Zhang, Christopher Baker Orcid Logo, Paul Smith, Gil Alexandrowicz Orcid Logo

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DOI (Published version): 10.1038/s41467-025-59928-3

Abstract

When hydrogen molecules collide with a surface, they can either scatter away from the surface or undergo dissociative chemisorption. The relative probabilities of these different outcomes could depend on the rotational orientation of the impinging molecules, however, due to the lack of steric contro...

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Published in: Nature Communications
ISSN: 2041-1723
Published: Springer Nature 2025
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URI: https://cronfa.swan.ac.uk/Record/cronfa69552
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last_indexed 2025-05-23T06:01:14Z
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spelling 2025-05-22T15:01:11.2406643 v2 69552 2025-05-22 Rotational orientation control of a ground state ortho-H2 dissociation on a metal surface 8ff1942a68a875f00d473d51aa4947a1 0000-0003-4119-6903 Helen Chadwick Helen Chadwick true false e3deae6fa36312bcf135c6ce596e5978 Guodong Zhang Guodong Zhang true false 0c72afb63bd0c6089fc5b60bd096103e 0000-0002-9448-8419 Christopher Baker Christopher Baker true false 7c96bdfc70685c38b3553042a08023e1 Paul Smith Paul Smith true false 1401818466c1114ae2035b811568a38e 0000-0003-3203-5577 Gil Alexandrowicz Gil Alexandrowicz true false 2025-05-22 EAAS When hydrogen molecules collide with a surface, they can either scatter away from the surface or undergo dissociative chemisorption. The relative probabilities of these different outcomes could depend on the rotational orientation of the impinging molecules, however, due to the lack of steric control techniques for ground state hydrogen, they could not be measured directly. Here, we demonstrate that magnetic field manipulation can be used to control the rotational orientation of H2 molecules colliding with a nickel surface and change the balance between reactive and scattering collision events. Our measurements show that molecules which approach the surface while rotating within a plane parallel to the surface are less likely to undergo specular scattering than those rotating within a perpendicular plane. An opposite trend was measured for the likelihood of dissociative chemisorption. A possible link between these two findings, and its potential impact on the interpretation of dissociation mechanisms is discussed. Journal Article Nature Communications 16 4625 Springer Nature 2041-1723 19 5 2025 2025-05-19 10.1038/s41467-025-59928-3 COLLEGE NANME Engineering and Applied Sciences School COLLEGE CODE EAAS Swansea University External research funder(s) paid the OA fee (includes OA grants disbursed by the Library) This project was funded by a UKRI, Future Leader Fellowship MR/X03609X/1 (H.C.) and an EPSRC, grant EP/X037886/1 (G.A., H.C.). 2025-05-22T15:01:11.2406643 2025-05-22T12:49:04.1144867 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemistry Helen Chadwick 0000-0003-4119-6903 1 Guodong Zhang 2 Christopher Baker 0000-0002-9448-8419 3 Paul Smith 4 Gil Alexandrowicz 0000-0003-3203-5577 5 69552__34334__c3fc3e0fae4846febe1f1411ecc7dd8c.pdf 69552.VOR.pdf 2025-05-22T14:58:16.2683470 Output 873497 application/pdf Version of Record true © The Author(s) 2025. This article is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0). true eng http://creativecommons.org/licenses/by/4.0/
title Rotational orientation control of a ground state ortho-H2 dissociation on a metal surface
spellingShingle Rotational orientation control of a ground state ortho-H2 dissociation on a metal surface
Helen Chadwick
Guodong Zhang
Christopher Baker
Paul Smith
Gil Alexandrowicz
title_short Rotational orientation control of a ground state ortho-H2 dissociation on a metal surface
title_full Rotational orientation control of a ground state ortho-H2 dissociation on a metal surface
title_fullStr Rotational orientation control of a ground state ortho-H2 dissociation on a metal surface
title_full_unstemmed Rotational orientation control of a ground state ortho-H2 dissociation on a metal surface
title_sort Rotational orientation control of a ground state ortho-H2 dissociation on a metal surface
author_id_str_mv 8ff1942a68a875f00d473d51aa4947a1
e3deae6fa36312bcf135c6ce596e5978
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author_id_fullname_str_mv 8ff1942a68a875f00d473d51aa4947a1_***_Helen Chadwick
e3deae6fa36312bcf135c6ce596e5978_***_Guodong Zhang
0c72afb63bd0c6089fc5b60bd096103e_***_Christopher Baker
7c96bdfc70685c38b3553042a08023e1_***_Paul Smith
1401818466c1114ae2035b811568a38e_***_Gil Alexandrowicz
author Helen Chadwick
Guodong Zhang
Christopher Baker
Paul Smith
Gil Alexandrowicz
author2 Helen Chadwick
Guodong Zhang
Christopher Baker
Paul Smith
Gil Alexandrowicz
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container_volume 16
container_start_page 4625
publishDate 2025
institution Swansea University
issn 2041-1723
doi_str_mv 10.1038/s41467-025-59928-3
publisher Springer Nature
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hierarchy_parent_id facultyofscienceandengineering
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department_str School of Engineering and Applied Sciences - Chemistry{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemistry
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description When hydrogen molecules collide with a surface, they can either scatter away from the surface or undergo dissociative chemisorption. The relative probabilities of these different outcomes could depend on the rotational orientation of the impinging molecules, however, due to the lack of steric control techniques for ground state hydrogen, they could not be measured directly. Here, we demonstrate that magnetic field manipulation can be used to control the rotational orientation of H2 molecules colliding with a nickel surface and change the balance between reactive and scattering collision events. Our measurements show that molecules which approach the surface while rotating within a plane parallel to the surface are less likely to undergo specular scattering than those rotating within a perpendicular plane. An opposite trend was measured for the likelihood of dissociative chemisorption. A possible link between these two findings, and its potential impact on the interpretation of dissociation mechanisms is discussed.
published_date 2025-05-19T05:28:29Z
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